1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea

C13H15N3OS — CID 47194043

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
SMILESCc1csc(NC(=O)NCCc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyYVJDHHRELYPWGH-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.82
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea

1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea (PubChem CID 47194043) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
PubChem CID47194043
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
SMILESCc1csc(NC(=O)NCCc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyYVJDHHRELYPWGH-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891338
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902316
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108891596
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
3-[[benzyl(methyl)carbamoyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 60577555
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
CID 108879471
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea (CID 47194043) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea is Cc1csc(NC(=O)NCCc2ccccc2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea?
The InChIKey is YVJDHHRELYPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-9-18-13(15-10)16-12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea?
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea has a molecular weight of 261.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 47194043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).