1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

C18H19N7O2S — CID 72844072

IUPAC1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1
InChIInChI=1S/C18H19N7O2S/c1-12-20-15(10-28-12)18(27)24-9-3-2-4-16(24)17(26)21-13-5-7-14(8-6-13)25-11-19-22-23-25/h5-8,10-11,16H,2-4,9H2,1H3,(H,21,26)
InChIKeyROUHDUOKNKOMOL-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide

1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 72844072) has the molecular formula C18H19N7O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID72844072
Molecular FormulaC18H19N7O2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC Name1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1
InChIInChI=1S/C18H19N7O2S/c1-12-20-15(10-28-12)18(27)24-9-3-2-4-16(24)17(26)21-13-5-7-14(8-6-13)25-11-19-22-23-25/h5-8,10-11,16H,2-4,9H2,1H3,(H,21,26)
InChIKeyROUHDUOKNKOMOL-UHFFFAOYSA-N
XLogP2.06
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[[(2R)-2-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidin-1-yl]methyl]benzoate
CID 25448202
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
(4R)-3-benzoyl-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55941327
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404372
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxamide
CID 42404371
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide (CID 72844072) is 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide is Cc1nc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3cnnn3)cc2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is ROUHDUOKNKOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2S/c1-12-20-15(10-28-12)18(27)24-9-3-2-4-16(24)17(26)21-13-5-7-14(8-6-13)25-11-19-22-23-25/h5-8,10-11,16H,2-4,9H2,1H3,(H,21,26).
What are the key properties of 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide?
1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazole-4-carbonyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 72844072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).