1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea

C19H25N3O2S — CID 164629688

IUPAC1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea
SMILESCc1ccc(-c2nc(C)c([C@H](C)NC(=O)NC3CCOCC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-12-4-6-15(7-5-12)18-20-13(2)17(25-18)14(3)21-19(23)22-16-8-10-24-11-9-16/h4-7,14,16H,8-11H2,1-3H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyJTBXOHFCJZPXIH-AWEZNQCLSA-N
MW359.50 g/mol
LogP3.97
Rot. Bonds4

About 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea

1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea (PubChem CID 164629688) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea
PubChem CID164629688
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea
SMILESCc1ccc(-c2nc(C)c([C@H](C)NC(=O)NC3CCOCC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-12-4-6-15(7-5-12)18-20-13(2)17(25-18)14(3)21-19(23)22-16-8-10-24-11-9-16/h4-7,14,16H,8-11H2,1-3H3,(H2,21,22,23)/t14-/m0/s1
InChIKeyJTBXOHFCJZPXIH-AWEZNQCLSA-N
XLogP3.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-({[(Cyclohexylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581915
5-({[(Isopropylamino)carbonyl]oxy}ethanimidoyl)-4-methyl-2-phenyl-1,3-thiazole
CID 9581920
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 84239281
1-[2-(2-Phenyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 84516254
N-[2-(4-Phenyl-1,3-thiazol-2-YL)ethyl]morpholine-4-carboxamide
CID 121503254
1-Methyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylurea
CID 162671145
1-Butyl-3-[4-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]phenyl]urea
CID 137651459
3-[2-(2-Phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea
CID 162652066
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162657556
N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 53605865
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 53613295
1-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
CID 71968908

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea (CID 164629688) is 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea is Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)NC3CCOCC3)s2)cc1.
What is the InChIKey of 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea?
The InChIKey is JTBXOHFCJZPXIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12-4-6-15(7-5-12)18-20-13(2)17(25-18)14(3)21-19(23)22-16-8-10-24-11-9-16/h4-7,14,16H,8-11H2,1-3H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea?
1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea has a molecular weight of 359.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 164629688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).