N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C13H18N6OS — CID 95323473

IUPACN-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC[C@H]1Cn1cncn1)Nc1nccs1
InChIInChI=1S/C13H18N6OS/c20-12(17-13-15-4-6-21-13)8-18-5-2-1-3-11(18)7-19-10-14-9-16-19/h4,6,9-11H,1-3,5,7-8H2,(H,15,17,20)/t11-/m0/s1
InChIKeyUZZPBINWHULHSM-NSHDSACASA-N
MW306.39 g/mol
LogP1.23
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 95323473) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID95323473
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC NameN-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC[C@H]1Cn1cncn1)Nc1nccs1
InChIInChI=1S/C13H18N6OS/c20-12(17-13-15-4-6-21-13)8-18-5-2-1-3-11(18)7-19-10-14-9-16-19/h4,6,9-11H,1-3,5,7-8H2,(H,15,17,20)/t11-/m0/s1
InChIKeyUZZPBINWHULHSM-NSHDSACASA-N
XLogP1.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95289284
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95979170
N-(2-acetamidoethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95978835
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95304967
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802705
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95609860
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
N-[(1R)-1-thiophen-2-ylethyl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129429028
N-[4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95609755
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 98763927
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 124777522

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 95323473) is N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC[C@H]1Cn1cncn1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is UZZPBINWHULHSM-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N6OS/c20-12(17-13-15-4-6-21-13)8-18-5-2-1-3-11(18)7-19-10-14-9-16-19/h4,6,9-11H,1-3,5,7-8H2,(H,15,17,20)/t11-/m0/s1.
What are the key properties of N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95323473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).