1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea

C16H14ClN3OS2 — CID 90546926

IUPAC1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3OS2/c1-10-14(23-15(19-10)13-3-2-8-22-13)9-18-16(21)20-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H2,18,20,21)
InChIKeyIPMIZAIGGHTQOZ-UHFFFAOYSA-N
MW363.90 g/mol
LogP5.16
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 90546926) has the molecular formula C16H14ClN3OS2 and a molecular weight of 363.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
PubChem CID90546926
Molecular FormulaC16H14ClN3OS2
Molecular Weight363.90 g/mol
Exact Mass363.03
IUPAC Name1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1nc(-c2cccs2)sc1CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3OS2/c1-10-14(23-15(19-10)13-3-2-8-22-13)9-18-16(21)20-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H2,18,20,21)
InChIKeyIPMIZAIGGHTQOZ-UHFFFAOYSA-N
XLogP5.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.90
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546969
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
1-(2-methylphenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 71795436
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546957
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 90546787

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea (CID 90546926) is 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea is Cc1nc(-c2cccs2)sc1CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is IPMIZAIGGHTQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS2/c1-10-14(23-15(19-10)13-3-2-8-22-13)9-18-16(21)20-12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H2,18,20,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 363.90 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 90546926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).