N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide

C12H20N2O2S2 — CID 111463024

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NCC(C)(O)CSC)s1
InChIInChI=1S/C12H20N2O2S2/c1-4-5-10-13-6-9(18-10)11(15)14-7-12(2,16)8-17-3/h6,16H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyFNFURZRPKLFIKZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.94
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 111463024) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID111463024
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NCC(C)(O)CSC)s1
InChIInChI=1S/C12H20N2O2S2/c1-4-5-10-13-6-9(18-10)11(15)14-7-12(2,16)8-17-3/h6,16H,4-5,7-8H2,1-3H3,(H,14,15)
InChIKeyFNFURZRPKLFIKZ-UHFFFAOYSA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 111482118
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113239558
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
CID 114162956
2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
CID 109381044
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
5,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113239579
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 106244209
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide (CID 111463024) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NCC(C)(O)CSC)s1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is FNFURZRPKLFIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-4-5-10-13-6-9(18-10)11(15)14-7-12(2,16)8-17-3/h6,16H,4-5,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111463024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).