N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

C20H25N3OS — CID 5244733

IUPACN-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESCN(c1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1)C1CCCCC1
InChIInChI=1S/C20H25N3OS/c1-23(17-5-3-2-4-6-17)20-22-18(13-25-20)14-9-11-16(12-10-14)21-19(24)15-7-8-15/h9-13,15,17H,2-8H2,1H3,(H,21,24)
InChIKeyAVDOQUOOJYRVFH-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.93
Rot. Bonds5

About N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 5244733) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID5244733
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESCN(c1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1)C1CCCCC1
InChIInChI=1S/C20H25N3OS/c1-23(17-5-3-2-4-6-17)20-22-18(13-25-20)14-9-11-16(12-10-14)21-19(24)15-7-8-15/h9-13,15,17H,2-8H2,1H3,(H,21,24)
InChIKeyAVDOQUOOJYRVFH-UHFFFAOYSA-N
XLogP4.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712121
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 70680665
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (CID 5244733) is N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is CN(c1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is AVDOQUOOJYRVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-23(17-5-3-2-4-6-17)20-22-18(13-25-20)14-9-11-16(12-10-14)21-19(24)15-7-8-15/h9-13,15,17H,2-8H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 355.51 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 5244733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).