(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C15H22N6O2S — CID 124757710

IUPAC(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC(c2nnc(CO)n2C)CC1
InChIInChI=1S/C15H22N6O2S/c1-10(14(23)17-15-16-5-8-24-15)21-6-3-11(4-7-21)13-19-18-12(9-22)20(13)2/h5,8,10-11,22H,3-4,6-7,9H2,1-2H3,(H,16,17,23)/t10-/m0/s1
InChIKeyWXJRXMIBRWHYKB-JTQLQIEISA-N
MW350.45 g/mol
LogP0.97
Rot. Bonds5

About (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 124757710) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID124757710
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC(c2nnc(CO)n2C)CC1
InChIInChI=1S/C15H22N6O2S/c1-10(14(23)17-15-16-5-8-24-15)21-6-3-11(4-7-21)13-19-18-12(9-22)20(13)2/h5,8,10-11,22H,3-4,6-7,9H2,1-2H3,(H,16,17,23)/t10-/m0/s1
InChIKeyWXJRXMIBRWHYKB-JTQLQIEISA-N
XLogP0.97
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
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(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
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CID 167773947
N-(1,3-thiazol-2-yl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide
CID 118785583
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
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2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
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CID 95780126
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 17303306
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
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N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 124757710) is (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCC(c2nnc(CO)n2C)CC1.
What is the InChIKey of (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WXJRXMIBRWHYKB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10(14(23)17-15-16-5-8-24-15)21-6-3-11(4-7-21)13-19-18-12(9-22)20(13)2/h5,8,10-11,22H,3-4,6-7,9H2,1-2H3,(H,16,17,23)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 350.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 124757710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).