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

C17H17N3OS — CID 40577280

IUPAC1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
SMILESC[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1
InChIInChI=1S/C17H17N3OS/c1-13-12-18-17(22-13)20(15-10-6-3-7-11-15)16(21)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyHSBQNSJYZKDWEL-CYBMUJFWSA-N
MW311.41 g/mol
LogP4.22
Rot. Bonds2

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

1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea (PubChem CID 40577280) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea.

Molecular Properties

Compound Name1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
PubChem CID40577280
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
SMILESC[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1
InChIInChI=1S/C17H17N3OS/c1-13-12-18-17(22-13)20(15-10-6-3-7-11-15)16(21)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyHSBQNSJYZKDWEL-CYBMUJFWSA-N
XLogP4.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
CID 42587045
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
CID 2346421
1-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 6976914
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
CID 3369494
1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
CID 5311698
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
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea
CID 2729364
1-(6-methyl-5,6-dihydro-4H-1,3-oxazin-2-yl)-1,3-diphenylurea
CID 14709281
3-(3-chlorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-[(1R)-1-phenylethyl]urea
CID 6977204

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea?
The IUPAC name of 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea (CID 40577280) is 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea.
What is the SMILES notation for 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea?
The canonical SMILES for 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea is C[C@@H]1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1.
What is the InChIKey of 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea?
The InChIKey is HSBQNSJYZKDWEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-13-12-18-17(22-13)20(15-10-6-3-7-11-15)16(21)19-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea?
1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea has a molecular weight of 311.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea is sourced from PubChem (CID 40577280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).