1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea

C15H23N3OS — CID 95967933

About 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea

1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 95967933) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

• Compound Name: 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
• PubChem CID: 95967933
• Molecular Formula: C15H23N3OS
• Molecular Weight: 293.44 g/mol
• Exact Mass: 293.16
• IUPAC Name: 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
• SMILES: Cc1cnc([C@@H](NC(=O)N(C)[C@H](C)C2CC2)C2CC2)s1
• InChI: InChI=1S/C15H23N3OS/c1-9-8-16-14(20-9)13(12-6-7-12)17-15(19)18(3)10(2)11-4-5-11/h8,10-13H,4-7H2,1-3H3,(H,17,19)/t10-,13+/m1/s1
• InChIKey: OQZFTJVOQNLGNU-MFKMUULPSA-N
• XLogP: 3.34
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.44
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 95967933) is 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea is Cc1cnc([C@@H](NC(=O)N(C)[C@H](C)C2CC2)C2CC2)s1.

What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

The InChIKey is OQZFTJVOQNLGNU-MFKMUULPSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-9-8-16-14(20-9)13(12-6-7-12)17-15(19)18(3)10(2)11-4-5-11/h8,10-13H,4-7H2,1-3H3,(H,17,19)/t10-,13+/m1/s1.

What are the key properties of 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?

1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 293.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 95967933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).