1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea

C12H17N3OS — CID 96566132

IUPAC1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc([C@H](NC(=O)NC2CC2)C2CC2)s1
InChIInChI=1S/C12H17N3OS/c1-7-6-13-11(17-7)10(8-2-3-8)15-12(16)14-9-4-5-9/h6,8-10H,2-5H2,1H3,(H2,14,15,16)/t10-/m1/s1
InChIKeyDZKGUQDJHVLLKR-SNVBAGLBSA-N
MW251.35 g/mol
LogP2.36
Rot. Bonds4

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

1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 96566132) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID96566132
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc([C@H](NC(=O)NC2CC2)C2CC2)s1
InChIInChI=1S/C12H17N3OS/c1-7-6-13-11(17-7)10(8-2-3-8)15-12(16)14-9-4-5-9/h6,8-10H,2-5H2,1H3,(H2,14,15,16)/t10-/m1/s1
InChIKeyDZKGUQDJHVLLKR-SNVBAGLBSA-N
XLogP2.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 96566132) is 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1cnc([C@H](NC(=O)NC2CC2)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is DZKGUQDJHVLLKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-6-13-11(17-7)10(8-2-3-8)15-12(16)14-9-4-5-9/h6,8-10H,2-5H2,1H3,(H2,14,15,16)/t10-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 251.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 96566132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).