1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea

C16H15N3OS2 — CID 1223803

IUPAC1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea
SMILESCc1ccc(NC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1
InChIInChI=1S/C16H15N3OS2/c1-10-3-6-12(7-4-10)17-15(20)19-16-18-13(9-21-16)14-8-5-11(2)22-14/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyAHFUOIPGUBAFMY-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.13
Rot. Bonds3

About 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea

1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea (PubChem CID 1223803) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea
PubChem CID1223803
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea
SMILESCc1ccc(NC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1
InChIInChI=1S/C16H15N3OS2/c1-10-3-6-12(7-4-10)17-15(20)19-16-18-13(9-21-16)14-8-5-11(2)22-14/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyAHFUOIPGUBAFMY-UHFFFAOYSA-N
XLogP5.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
Iwp-2
CID 2155128
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 640711
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-3-phenylthiourea
CID 930568
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
1-(2,4-Difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
CID 2810744
N-(4-Phenyl-thiazol-2-yl)-2-thiophen-2-yl-acetamide
CID 651443
N-(4-(4-Chlorophenyl)-2-thiazolyl)-N'-phenylurea
CID 897193

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea (CID 1223803) is 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea is Cc1ccc(NC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is AHFUOIPGUBAFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-10-3-6-12(7-4-10)17-15(20)19-16-18-13(9-21-16)14-8-5-11(2)22-14/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea?
1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 329.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 1223803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).