N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H20N2OS — CID 9123260

IUPACN-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-9-12(17-10(2)14-9)13(16)15-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,15,16)
InChIKeyJJKHZGHDEUCSQD-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds2

About N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 9123260) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID9123260
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCCCC2)s1
InChIInChI=1S/C13H20N2OS/c1-9-12(17-10(2)14-9)13(16)15-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,15,16)
InChIKeyJJKHZGHDEUCSQD-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 9123260) is N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCCCCC2)s1.
What is the InChIKey of N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JJKHZGHDEUCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-12(17-10(2)14-9)13(16)15-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9123260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).