N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C20H25ClN4O2S2 — CID 53317693

IUPACN-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C20H25ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,26)(H,23,27)/t12-,13+/m0/s1
InChIKeyINAXYTDVPJZLNM-QWHCGFSZSA-N
MW453.03 g/mol
LogP3.56
Rot. Bonds5

About N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53317693) has the molecular formula C20H25ClN4O2S2 and a molecular weight of 453.03 g/mol. Its IUPAC name is N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53317693
Molecular FormulaC20H25ClN4O2S2
Molecular Weight453.03 g/mol
Exact Mass452.11
IUPAC NameN-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C20H25ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,26)(H,23,27)/t12-,13+/m0/s1
InChIKeyINAXYTDVPJZLNM-QWHCGFSZSA-N
XLogP3.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.03
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53317693) is N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is INAXYTDVPJZLNM-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H25ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,26)(H,23,27)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 453.03 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 53317693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).