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

C15H25N3OS — CID 75378361

IUPAC1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)N(C2CC2)C(C)C(C)C)s1
InChIInChI=1S/C15H25N3OS/c1-10(2)12(4)18(13-5-6-13)15(19)16-8-7-14-17-9-11(3)20-14/h9-10,12-13H,5-8H2,1-4H3,(H,16,19)
InChIKeyVBVCTYGUVBUICM-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.21
Rot. Bonds6

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

1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 75378361) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID75378361
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)N(C2CC2)C(C)C(C)C)s1
InChIInChI=1S/C15H25N3OS/c1-10(2)12(4)18(13-5-6-13)15(19)16-8-7-14-17-9-11(3)20-14/h9-10,12-13H,5-8H2,1-4H3,(H,16,19)
InChIKeyVBVCTYGUVBUICM-UHFFFAOYSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 75378361) is 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)N(C2CC2)C(C)C(C)C)s1.
What is the InChIKey of 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is VBVCTYGUVBUICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)12(4)18(13-5-6-13)15(19)16-8-7-14-17-9-11(3)20-14/h9-10,12-13H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 295.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 75378361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).