2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H21N7O2S2 — CID 3193379

IUPAC2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccncc2)nc1SCC(=O)NC1CCCC1)Nc1nccs1
InChIInChI=1S/C19H21N7O2S2/c27-15(23-18-21-9-10-29-18)11-26-19(24-17(25-26)13-5-7-20-8-6-13)30-12-16(28)22-14-3-1-2-4-14/h5-10,14H,1-4,11-12H2,(H,22,28)(H,21,23,27)
InChIKeyCTYFKMHREAFTED-UHFFFAOYSA-N
MW443.56 g/mol
LogP2.59
Rot. Bonds8

About 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3193379) has the molecular formula C19H21N7O2S2 and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3193379
Molecular FormulaC19H21N7O2S2
Molecular Weight443.56 g/mol
Exact Mass443.12
IUPAC Name2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccncc2)nc1SCC(=O)NC1CCCC1)Nc1nccs1
InChIInChI=1S/C19H21N7O2S2/c27-15(23-18-21-9-10-29-18)11-26-19(24-17(25-26)13-5-7-20-8-6-13)30-12-16(28)22-14-3-1-2-4-14/h5-10,14H,1-4,11-12H2,(H,22,28)(H,21,23,27)
InChIKeyCTYFKMHREAFTED-UHFFFAOYSA-N
XLogP2.59
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 23990381
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7190885
N-cyclohexyl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977718
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 17303306
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1206717
2-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 35395721
N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468346
N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 7217655
N-cyclooctyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 37282895
N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 3223778

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 3193379) is 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc(-c2ccncc2)nc1SCC(=O)NC1CCCC1)Nc1nccs1.
What is the InChIKey of 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CTYFKMHREAFTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S2/c27-15(23-18-21-9-10-29-18)11-26-19(24-17(25-26)13-5-7-20-8-6-13)30-12-16(28)22-14-3-1-2-4-14/h5-10,14H,1-4,11-12H2,(H,22,28)(H,21,23,27).
What are the key properties of 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 443.56 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3193379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).