N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide

C12H18N2OS — CID 63037212

IUPACN-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1cscn1)C1CCCCCC1
InChIInChI=1S/C12H18N2OS/c1-14(10-6-4-2-3-5-7-10)12(15)11-8-16-9-13-11/h8-10H,2-7H2,1H3
InChIKeyRJPVSSMPAXDXSY-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.94
Rot. Bonds2

About N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide

N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 63037212) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID63037212
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1cscn1)C1CCCCCC1
InChIInChI=1S/C12H18N2OS/c1-14(10-6-4-2-3-5-7-10)12(15)11-8-16-9-13-11/h8-10H,2-7H2,1H3
InChIKeyRJPVSSMPAXDXSY-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 63037211
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N-(2-chlorocyclohexyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 102637990
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684545
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092
2-bromo-N-cyclopentyl-N-methyl-1,3-thiazole-5-carboxamide
CID 167312011
N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102862752
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
CID 90035522

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide (CID 63037212) is N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1cscn1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is RJPVSSMPAXDXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(10-6-4-2-3-5-7-10)12(15)11-8-16-9-13-11/h8-10H,2-7H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide?
N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63037212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).