2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide

C20H26N4O2S — CID 171386735

IUPAC2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCCC1)c1nc(C(=O)Nc2cccnc2)cs1
InChIInChI=1S/C20H26N4O2S/c1-13(2)10-16(23-18(25)14-6-3-4-7-14)20-24-17(12-27-20)19(26)22-15-8-5-9-21-11-15/h5,8-9,11-14,16H,3-4,6-7,10H2,1-2H3,(H,22,26)(H,23,25)/t16-/m1/s1
InChIKeyNPXIXSLVVRXICI-MRXNPFEDSA-N
MW386.52 g/mol
LogP4.18
Rot. Bonds7

About 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide

2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 171386735) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID171386735
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCCC1)c1nc(C(=O)Nc2cccnc2)cs1
InChIInChI=1S/C20H26N4O2S/c1-13(2)10-16(23-18(25)14-6-3-4-7-14)20-24-17(12-27-20)19(26)22-15-8-5-9-21-11-15/h5,8-9,11-14,16H,3-4,6-7,10H2,1-2H3,(H,22,26)(H,23,25)/t16-/m1/s1
InChIKeyNPXIXSLVVRXICI-MRXNPFEDSA-N
XLogP4.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[(1S)-1-(cyclobutanecarbonylamino)-3-methylbutyl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 171385690
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
2-[(1S)-1-(cyclopropanecarbonylamino)-2-phenylethyl]-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 171915344
N-(1,3-benzothiazol-6-yl)-2-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 171914221
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
CID 110308146
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
benzyl N-[1-[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]-3-methylbutyl]carbamate
CID 18508167
methyl 2-[[2-[(1S)-1-(cyclohexanecarbonylamino)-2-(4-phenylmethoxyphenyl)ethyl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 73346398
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
ethyl 2-[1-cyano-2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-4-carboxylate
CID 71907855

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 171386735) is 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide is CC(C)C[C@@H](NC(=O)C1CCCC1)c1nc(C(=O)Nc2cccnc2)cs1.
What is the InChIKey of 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NPXIXSLVVRXICI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13(2)10-16(23-18(25)14-6-3-4-7-14)20-24-17(12-27-20)19(26)22-15-8-5-9-21-11-15/h5,8-9,11-14,16H,3-4,6-7,10H2,1-2H3,(H,22,26)(H,23,25)/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide?
2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171386735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).