N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

C20H27N3OS — CID 53365497

IUPACN-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)NC3CCCCCC3)s2)c(C)c1
InChIInChI=1S/C20H27N3OS/c1-13-10-11-17(14(2)12-13)23-20-21-15(3)18(25-20)19(24)22-16-8-6-4-5-7-9-16/h10-12,16H,4-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWZZXZWWLWLOIPW-UHFFFAOYSA-N
MW357.52 g/mol
LogP5.26
Rot. Bonds4

About N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53365497) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53365497
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)NC3CCCCCC3)s2)c(C)c1
InChIInChI=1S/C20H27N3OS/c1-13-10-11-17(14(2)12-13)23-20-21-15(3)18(25-20)19(24)22-16-8-6-4-5-7-9-16/h10-12,16H,4-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWZZXZWWLWLOIPW-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
N-cyclopentyl-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142092
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444
N-cyclohexyl-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 1441232
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
CID 53365550
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53365497) is N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(Nc2nc(C)c(C(=O)NC3CCCCCC3)s2)c(C)c1.
What is the InChIKey of N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WZZXZWWLWLOIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-13-10-11-17(14(2)12-13)23-20-21-15(3)18(25-20)19(24)22-16-8-6-4-5-7-9-16/h10-12,16H,4-9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).