N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C21H22N4O2S — CID 86849988

IUPACN-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(COC2CCCCC2)c1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C21H22N4O2S/c26-20(18-14-28-21(25-18)19-22-10-5-11-23-19)24-16-7-4-6-15(12-16)13-27-17-8-2-1-3-9-17/h4-7,10-12,14,17H,1-3,8-9,13H2,(H,24,26)
InChIKeyZUOACWJJSHZZRP-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.70
Rot. Bonds6

About N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 86849988) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID86849988
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(COC2CCCCC2)c1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C21H22N4O2S/c26-20(18-14-28-21(25-18)19-22-10-5-11-23-19)24-16-7-4-6-15(12-16)13-27-17-8-2-1-3-9-17/h4-7,10-12,14,17H,1-3,8-9,13H2,(H,24,26)
InChIKeyZUOACWJJSHZZRP-UHFFFAOYSA-N
XLogP4.70
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(cyclohexyloxymethyl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856207
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
N-[3-(cyclohexyloxymethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxamide
CID 166212302
6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119185944
N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
N-(2-methyl-1H-indol-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085227
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811032
4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
CID 63885745
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 86849988) is N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(COC2CCCCC2)c1)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZUOACWJJSHZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-20(18-14-28-21(25-18)19-22-10-5-11-23-19)24-16-7-4-6-15(12-16)13-27-17-8-2-1-3-9-17/h4-7,10-12,14,17H,1-3,8-9,13H2,(H,24,26).
What are the key properties of N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86849988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).