1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea

C16H19N3O2S — CID 35281693

IUPAC1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(=O)c1sc(NC(=O)Nc2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C16H19N3O2S/c1-9(2)12-5-7-13(8-6-12)18-15(21)19-16-17-10(3)14(22-16)11(4)20/h5-9H,1-4H3,(H2,17,18,19,21)
InChIKeyHHLYPAPZHWMPKU-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.42
Rot. Bonds4

About 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea

1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 35281693) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
PubChem CID35281693
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
SMILESCC(=O)c1sc(NC(=O)Nc2ccc(C(C)C)cc2)nc1C
InChIInChI=1S/C16H19N3O2S/c1-9(2)12-5-7-13(8-6-12)18-15(21)19-16-17-10(3)14(22-16)11(4)20/h5-9H,1-4H3,(H2,17,18,19,21)
InChIKeyHHLYPAPZHWMPKU-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 1406508
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16897630
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea (CID 35281693) is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea is CC(=O)c1sc(NC(=O)Nc2ccc(C(C)C)cc2)nc1C.
What is the InChIKey of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is HHLYPAPZHWMPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9(2)12-5-7-13(8-6-12)18-15(21)19-16-17-10(3)14(22-16)11(4)20/h5-9H,1-4H3,(H2,17,18,19,21).
What are the key properties of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea?
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 317.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 35281693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).