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

C12H14ClN3OS — CID 6932570

IUPAC1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
SMILESCNC(=O)N(C1=NC[C@@H](C)S1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3OS/c1-8-7-15-12(18-8)16(11(17)14-2)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,17)/t8-/m1/s1
InChIKeyHIDGRQYGGRHZKM-MRVPVSSYSA-N
MW283.78 g/mol
LogP2.98
Rot. Bonds1

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

1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea (PubChem CID 6932570) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
PubChem CID6932570
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
SMILESCNC(=O)N(C1=NC[C@@H](C)S1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3OS/c1-8-7-15-12(18-8)16(11(17)14-2)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,17)/t8-/m1/s1
InChIKeyHIDGRQYGGRHZKM-MRVPVSSYSA-N
XLogP2.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 7039411
1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
1-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 6976914
N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 620033
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
3-(3-chloro-4-fluorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-propan-2-ylurea
CID 7072990
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
CID 2346421
1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
CID 5311698
(3,4-dichlorophenyl) N-(3,4-dimethylphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate
CID 142449754
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(1-phenylethyl)urea
CID 2729368
3-(3-chlorophenyl)-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977203

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea (CID 6932570) is 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea is CNC(=O)N(C1=NC[C@@H](C)S1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
The InChIKey is HIDGRQYGGRHZKM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8-7-15-12(18-8)16(11(17)14-2)10-5-3-9(13)4-6-10/h3-6,8H,7H2,1-2H3,(H,14,17)/t8-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea?
1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea has a molecular weight of 283.78 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 6932570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).