2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide

C23H30ClN5O2S — CID 171424402

IUPAC2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(Cl)cc1NCc1ncc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NC2CC2)s1
InChIInChI=1S/C23H30ClN5O2S/c1-14-18(10-16(24)11-25-14)26-13-21-27-12-20(32-21)23(31)29-19(22(30)28-17-7-8-17)9-15-5-3-2-4-6-15/h10-12,15,17,19,26H,2-9,13H2,1H3,(H,28,30)(H,29,31)/t19-/m0/s1
InChIKeyQXVBEGMKZIYHDM-IBGZPJMESA-N
MW476.05 g/mol
LogP4.46
Rot. Bonds9

About 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide

2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 171424402) has the molecular formula C23H30ClN5O2S and a molecular weight of 476.05 g/mol. Its IUPAC name is 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID171424402
Molecular FormulaC23H30ClN5O2S
Molecular Weight476.05 g/mol
Exact Mass475.18
IUPAC Name2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc(Cl)cc1NCc1ncc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NC2CC2)s1
InChIInChI=1S/C23H30ClN5O2S/c1-14-18(10-16(24)11-25-14)26-13-21-27-12-20(32-21)23(31)29-19(22(30)28-17-7-8-17)9-15-5-3-2-4-6-15/h10-12,15,17,19,26H,2-9,13H2,1H3,(H,28,30)(H,29,31)/t19-/m0/s1
InChIKeyQXVBEGMKZIYHDM-IBGZPJMESA-N
XLogP4.46
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.05
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-1-(cyclopropylamino)-3-(oxan-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 177043331
5-[(1R)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424418
5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[1-(cyclopropylamino)-3-(3,3-difluorocyclobutyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 177043276
5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-1-(cyclopropylamino)-3-(3-fluorocyclopentyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 177043236
5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-1-(cyclopropylamino)-3-(oxan-2-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 177043327
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424566
5-[1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 174229380
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-1-[(3-cyanocyclopentyl)amino]-3-cyclopentyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424476
5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide
CID 171902484
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(8-oxabicyclo[3.2.1]octan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424494
5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]-N-[(2S)-3-cyclopentyl-1-[(2,2-difluorocyclopropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424585
methyl 3-[[(2S)-2-[[5-[(1S)-1-[(5-chloro-2-methyl-3-pyridinyl)amino]ethyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino]cyclobutane-1-carboxylate
CID 171424704

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide (CID 171424402) is 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide is Cc1ncc(Cl)cc1NCc1ncc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NC2CC2)s1.
What is the InChIKey of 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QXVBEGMKZIYHDM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30ClN5O2S/c1-14-18(10-16(24)11-25-14)26-13-21-27-12-20(32-21)23(31)29-19(22(30)28-17-7-8-17)9-15-5-3-2-4-6-15/h10-12,15,17,19,26H,2-9,13H2,1H3,(H,28,30)(H,29,31)/t19-/m0/s1.
What are the key properties of 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide?
2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 476.05 g/mol, XLogP of 4.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171424402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).