1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide

C13H18N6OS — CID 129466028

IUPAC1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1cscn1)c1ncn([C@H]2CCCNC2)n1
InChIInChI=1S/C13H18N6OS/c20-13(15-5-3-10-7-21-9-17-10)12-16-8-19(18-12)11-2-1-4-14-6-11/h7-9,11,14H,1-6H2,(H,15,20)/t11-/m0/s1
InChIKeyWYUVGTSLWRTYAV-NSHDSACASA-N
MW306.40 g/mol
LogP0.63
Rot. Bonds5

About 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide

1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 129466028) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
PubChem CID129466028
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCc1cscn1)c1ncn([C@H]2CCCNC2)n1
InChIInChI=1S/C13H18N6OS/c20-13(15-5-3-10-7-21-9-17-10)12-16-8-19(18-12)11-2-1-4-14-6-11/h7-9,11,14H,1-6H2,(H,15,20)/t11-/m0/s1
InChIKeyWYUVGTSLWRTYAV-NSHDSACASA-N
XLogP0.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 128995991
1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
CID 129489835
1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
CID 129488911
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489919
1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
CID 129001736
N-[(1R,2S)-2-phenylcyclopropyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488916
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide (CID 129466028) is 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide is O=C(NCCc1cscn1)c1ncn([C@H]2CCCNC2)n1.
What is the InChIKey of 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WYUVGTSLWRTYAV-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N6OS/c20-13(15-5-3-10-7-21-9-17-10)12-16-8-19(18-12)11-2-1-4-14-6-11/h7-9,11,14H,1-6H2,(H,15,20)/t11-/m0/s1.
What are the key properties of 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide?
1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 306.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129466028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).