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

C13H19N3OS — CID 71926022

IUPAC1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea
SMILESCc1cnc(C(NC(=O)NC2CC2C)C2CC2)s1
InChIInChI=1S/C13H19N3OS/c1-7-5-10(7)15-13(17)16-11(9-3-4-9)12-14-6-8(2)18-12/h6-7,9-11H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyZBFRBVKAQBVNIS-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.61
Rot. Bonds4

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

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea (PubChem CID 71926022) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea
PubChem CID71926022
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea
SMILESCc1cnc(C(NC(=O)NC2CC2C)C2CC2)s1
InChIInChI=1S/C13H19N3OS/c1-7-5-10(7)15-13(17)16-11(9-3-4-9)12-14-6-8(2)18-12/h6-7,9-11H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyZBFRBVKAQBVNIS-UHFFFAOYSA-N
XLogP2.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97232904
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CID 97594484
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CID 99840018
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CID 137997532
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CID 113251523
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CID 166417357
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CID 167765992

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea (CID 71926022) is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea is Cc1cnc(C(NC(=O)NC2CC2C)C2CC2)s1.
What is the InChIKey of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea?
The InChIKey is ZBFRBVKAQBVNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-7-5-10(7)15-13(17)16-11(9-3-4-9)12-14-6-8(2)18-12/h6-7,9-11H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea?
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea has a molecular weight of 265.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 71926022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).