4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide

C13H20N2O3S — CID 75484224

IUPAC4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1scnc1C1CC1
InChIInChI=1S/C13H20N2O3S/c1-13(6-16,7-17)5-15(2)12(18)11-10(9-3-4-9)14-8-19-11/h8-9,16-17H,3-7H2,1-2H3
InChIKeyRNMCBTNNKYHVHR-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.08
Rot. Bonds6

About 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide

4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 75484224) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID75484224
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1scnc1C1CC1
InChIInChI=1S/C13H20N2O3S/c1-13(6-16,7-17)5-15(2)12(18)11-10(9-3-4-9)14-8-19-11/h8-9,16-17H,3-7H2,1-2H3
InChIKeyRNMCBTNNKYHVHR-UHFFFAOYSA-N
XLogP1.08
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 75484224) is 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(CC(C)(CO)CO)C(=O)c1scnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RNMCBTNNKYHVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(6-16,7-17)5-15(2)12(18)11-10(9-3-4-9)14-8-19-11/h8-9,16-17H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide?
4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75484224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).