4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid

C14H20N2O2S — CID 63915648

IUPAC4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)CN(c1nc(C2CC2)c(C(=O)O)s1)C1CC1
InChIInChI=1S/C14H20N2O2S/c1-8(2)7-16(10-5-6-10)14-15-11(9-3-4-9)12(19-14)13(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyUHDFVDSDHNAEHS-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.34
Rot. Bonds6

About 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 63915648) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID63915648
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)CN(c1nc(C2CC2)c(C(=O)O)s1)C1CC1
InChIInChI=1S/C14H20N2O2S/c1-8(2)7-16(10-5-6-10)14-15-11(9-3-4-9)12(19-14)13(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKeyUHDFVDSDHNAEHS-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid (CID 63915648) is 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid is CC(C)CN(c1nc(C2CC2)c(C(=O)O)s1)C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is UHDFVDSDHNAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8(2)7-16(10-5-6-10)14-15-11(9-3-4-9)12(19-14)13(17)18/h8-10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63915648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).