1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

C14H17N3OS — CID 22559570

IUPAC1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-9(2)12-8-15-14(19-12)17-13(18)16-11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyKGRRAAAPLYYVLK-UHFFFAOYSA-N
MW275.38 g/mol
LogP4.22
Rot. Bonds3

About 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea

1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 22559570) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID22559570
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2ncc(C(C)C)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-9(2)12-8-15-14(19-12)17-13(18)16-11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyKGRRAAAPLYYVLK-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559540
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542
2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10131664
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
CID 11269455
N-[4-[(2R)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]phenyl]pyridine-4-carboxamide
CID 10111250
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 11383851
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
1-[(3,4-difluorophenyl)methyl]-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559493
(2R)-2-[[5-[(4-methylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 7586966
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea (CID 22559570) is 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is Cc1ccc(NC(=O)Nc2ncc(C(C)C)s2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is KGRRAAAPLYYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)12-8-15-14(19-12)17-13(18)16-11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea?
1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 275.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 22559570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).