(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide

C13H17N5OS — CID 97005000

IUPAC(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)sn1
InChIInChI=1S/C13H17N5OS/c1-9-8-11(20-17-9)16-13(19)18-7-3-2-4-10(18)12-14-5-6-15-12/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)(H,16,19)/t10-/m0/s1
InChIKeyIGQKWYIMEZDONR-JTQLQIEISA-N
MW291.38 g/mol
LogP2.93
Rot. Bonds2

About (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide

(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide (PubChem CID 97005000) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
PubChem CID97005000
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)sn1
InChIInChI=1S/C13H17N5OS/c1-9-8-11(20-17-9)16-13(19)18-7-3-2-4-10(18)12-14-5-6-15-12/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)(H,16,19)/t10-/m0/s1
InChIKeyIGQKWYIMEZDONR-JTQLQIEISA-N
XLogP2.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
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2-(1H-imidazol-2-yl)-N-(2-methylquinolin-8-yl)piperidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
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2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
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N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
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(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
(2R)-2-(1H-imidazol-2-yl)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]piperidine-1-carboxamide
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(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide (CID 97005000) is (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)sn1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is IGQKWYIMEZDONR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-8-11(20-17-9)16-13(19)18-7-3-2-4-10(18)12-14-5-6-15-12/h5-6,8,10H,2-4,7H2,1H3,(H,14,15)(H,16,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide?
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97005000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).