1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea

C16H20ClN3O2S — CID 110669205

IUPAC1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2nc(C)sc2CNC(=O)NC(C)C)cc1Cl
InChIInChI=1S/C16H20ClN3O2S/c1-9(2)19-16(21)18-8-14-15(20-10(3)23-14)11-5-6-13(22-4)12(17)7-11/h5-7,9H,8H2,1-4H3,(H2,18,19,21)
InChIKeyXTJOQFOPHOZBDD-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.99
Rot. Bonds5

About 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea

1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea (PubChem CID 110669205) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
PubChem CID110669205
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2nc(C)sc2CNC(=O)NC(C)C)cc1Cl
InChIInChI=1S/C16H20ClN3O2S/c1-9(2)19-16(21)18-8-14-15(20-10(3)23-14)11-5-6-13(22-4)12(17)7-11/h5-7,9H,8H2,1-4H3,(H2,18,19,21)
InChIKeyXTJOQFOPHOZBDD-UHFFFAOYSA-N
XLogP3.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-(5-chloro-2-methoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26094727
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
1-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]methyl]-3-propan-2-ylurea
CID 10319226
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121122663
4-(4-chloro-3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 174768563
3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183232
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea (CID 110669205) is 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea is COc1ccc(-c2nc(C)sc2CNC(=O)NC(C)C)cc1Cl.
What is the InChIKey of 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea?
The InChIKey is XTJOQFOPHOZBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-9(2)19-16(21)18-8-14-15(20-10(3)23-14)11-5-6-13(22-4)12(17)7-11/h5-7,9H,8H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea?
1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea has a molecular weight of 353.88 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110669205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).