1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea

C12H10N4O2S — CID 90603698

IUPAC1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ncc(C#N)s2)c1
InChIInChI=1S/C12H10N4O2S/c1-18-9-4-2-3-8(5-9)15-11(17)16-12-14-7-10(6-13)19-12/h2-5,7H,1H3,(H2,14,15,16,17)
InChIKeyMIAFJHWIKLBWAI-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.67
Rot. Bonds3

About 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea

1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea (PubChem CID 90603698) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
PubChem CID90603698
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ncc(C#N)s2)c1
InChIInChI=1S/C12H10N4O2S/c1-18-9-4-2-3-8(5-9)15-11(17)16-12-14-7-10(6-13)19-12/h2-5,7H,1H3,(H2,14,15,16,17)
InChIKeyMIAFJHWIKLBWAI-UHFFFAOYSA-N
XLogP2.67
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 121082502
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1387050
1-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
CID 1388900

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea (CID 90603698) is 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ncc(C#N)s2)c1.
What is the InChIKey of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is MIAFJHWIKLBWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-18-9-4-2-3-8(5-9)15-11(17)16-12-14-7-10(6-13)19-12/h2-5,7H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea?
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 274.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 90603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).