1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

C16H22N4O2S — CID 95905111

IUPAC1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)c1csc(C2CC2)n1
InChIInChI=1S/C16H22N4O2S/c1-8(13-7-23-15(19-13)12-5-6-12)17-16(21)18-9(2)14-10(3)20-22-11(14)4/h7-9,12H,5-6H2,1-4H3,(H2,17,18,21)/t8-,9+/m1/s1
InChIKeyJSKDDLXDJAJKLZ-BDAKNGLRSA-N
MW334.45 g/mol
LogP3.75
Rot. Bonds5

About 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea

1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (PubChem CID 95905111) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
PubChem CID95905111
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
SMILESCc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)c1csc(C2CC2)n1
InChIInChI=1S/C16H22N4O2S/c1-8(13-7-23-15(19-13)12-5-6-12)17-16(21)18-9(2)14-10(3)20-22-11(14)4/h7-9,12H,5-6H2,1-4H3,(H2,17,18,21)/t8-,9+/m1/s1
InChIKeyJSKDDLXDJAJKLZ-BDAKNGLRSA-N
XLogP3.75
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 45803847
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 45818370
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 45831058
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47866276
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084065
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 53499132
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53521605
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53603021
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614108
N-[(2-{1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidin-3-yl}-1,3-thiazol-4-yl)methyl]-2-methylpropanamide
CID 53149485
N-[(2-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidin-4-YL}-1,3-thiazol-4-YL)methyl]propanamide
CID 71842132
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45830948

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea (CID 95905111) is 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)c1csc(C2CC2)n1.
What is the InChIKey of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
The InChIKey is JSKDDLXDJAJKLZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-8(13-7-23-15(19-13)12-5-6-12)17-16(21)18-9(2)14-10(3)20-22-11(14)4/h7-9,12H,5-6H2,1-4H3,(H2,17,18,21)/t8-,9+/m1/s1.
What are the key properties of 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea?
1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea has a molecular weight of 334.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea is sourced from PubChem (CID 95905111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).