N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

C17H27N3OS — CID 25311697

IUPACN-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cs1
InChIInChI=1S/C17H27N3OS/c1-13-18-16(12-22-13)17(21)19-14-7-6-10-20(11-14)15-8-4-2-3-5-9-15/h12,14-15H,2-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeySMIPOEYPKZOVCQ-AWEZNQCLSA-N
MW321.49 g/mol
LogP3.37
Rot. Bonds3

About N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 25311697) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID25311697
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cs1
InChIInChI=1S/C17H27N3OS/c1-13-18-16(12-22-13)17(21)19-14-7-6-10-20(11-14)15-8-4-2-3-5-9-15/h12,14-15H,2-11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeySMIPOEYPKZOVCQ-AWEZNQCLSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
N-(1-cyclopentylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 110462193
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
N-(1-cyclopentylpiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 118773701
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95051461
5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 45233020
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
3-amino-N-(1-cyclopentylpiperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 91766340
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 25311697) is N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cs1.
What is the InChIKey of N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SMIPOEYPKZOVCQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-13-18-16(12-22-13)17(21)19-14-7-6-10-20(11-14)15-8-4-2-3-5-9-15/h12,14-15H,2-11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25311697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).