1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea

C19H18ClN3OS — CID 110645471

IUPAC1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCCc1ncc(Cc2ccccc2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3OS/c20-15-6-8-16(9-7-15)23-19(24)21-11-10-18-22-13-17(25-18)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,21,23,24)
InChIKeyNPURZSSHJTVZRC-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.75
Rot. Bonds6

About 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea

1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea (PubChem CID 110645471) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
PubChem CID110645471
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCCc1ncc(Cc2ccccc2)s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3OS/c20-15-6-8-16(9-7-15)23-19(24)21-11-10-18-22-13-17(25-18)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,21,23,24)
InChIKeyNPURZSSHJTVZRC-UHFFFAOYSA-N
XLogP4.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
CID 110645469
1-(4-chlorophenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470404
N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
CID 110645468
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223230
1-(4-chlorophenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874844
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108892033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea (CID 110645471) is 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea is O=C(NCCc1ncc(Cc2ccccc2)s1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea?
The InChIKey is NPURZSSHJTVZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-15-6-8-16(9-7-15)23-19(24)21-11-10-18-22-13-17(25-18)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,21,23,24).
What are the key properties of 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea?
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea has a molecular weight of 371.89 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 110645471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).