N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide

C16H18N4O2S2 — CID 75416019

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cccnc2SC2CCCC2)n1
InChIInChI=1S/C16H18N4O2S2/c17-13(21)8-10-9-23-16(19-10)20-14(22)12-6-3-7-18-15(12)24-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H2,17,21)(H,19,20,22)
InChIKeyDLIOSOSJMFHWDN-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.85
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide (PubChem CID 75416019) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
PubChem CID75416019
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESNC(=O)Cc1csc(NC(=O)c2cccnc2SC2CCCC2)n1
InChIInChI=1S/C16H18N4O2S2/c17-13(21)8-10-9-23-16(19-10)20-14(22)12-6-3-7-18-15(12)24-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H2,17,21)(H,19,20,22)
InChIKeyDLIOSOSJMFHWDN-UHFFFAOYSA-N
XLogP2.85
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 18153647
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 18143752
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55875231
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55883618
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55874481
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 55876154
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55977297
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-cyclopentyloxy-3-methoxybenzamide
CID 55793064

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide (CID 75416019) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide is NC(=O)Cc1csc(NC(=O)c2cccnc2SC2CCCC2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The InChIKey is DLIOSOSJMFHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c17-13(21)8-10-9-23-16(19-10)20-14(22)12-6-3-7-18-15(12)24-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H2,17,21)(H,19,20,22).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 75416019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).