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

C14H17N3OS — CID 103616001

IUPAC1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(2)12-9-19-14(16-12)17-13(18)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyCDMKYRDQXZFIDZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.59
Rot. Bonds4

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

1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 103616001) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
PubChem CID103616001
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
SMILESCC(C)c1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(2)12-9-19-14(16-12)17-13(18)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyCDMKYRDQXZFIDZ-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
CID 110491780
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
3-methoxy-4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 103158887
tert-butyl 2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetate
CID 56989070
N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 37019362
ethyl 4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoate
CID 18322926
2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 110439791
3-[[(2S)-2-[[2-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 139938024

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea (CID 103616001) is 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea is CC(C)c1csc(NC(=O)NCc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is CDMKYRDQXZFIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(2)12-9-19-14(16-12)17-13(18)15-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea?
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 275.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 103616001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).