N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide

C17H20N2OS — CID 90626222

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
SMILESCc1nc(-c2ccccc2NC(=O)C2CCCCC2)cs1
InChIInChI=1S/C17H20N2OS/c1-12-18-16(11-21-12)14-9-5-6-10-15(14)19-17(20)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyYPPHTJJBHWKMOA-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.64
Rot. Bonds3

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

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide (PubChem CID 90626222) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
PubChem CID90626222
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
SMILESCc1nc(-c2ccccc2NC(=O)C2CCCCC2)cs1
InChIInChI=1S/C17H20N2OS/c1-12-18-16(11-21-12)14-9-5-6-10-15(14)19-17(20)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyYPPHTJJBHWKMOA-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide
CID 99876961
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 169357373
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 90602745
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 39177703
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide (CID 90626222) is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide is Cc1nc(-c2ccccc2NC(=O)C2CCCCC2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is YPPHTJJBHWKMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-18-16(11-21-12)14-9-5-6-10-15(14)19-17(20)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 90626222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).