N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C15H20N2O2S2 — CID 111480449

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cnc(-c2cccs2)s1
InChIInChI=1S/C15H20N2O2S2/c1-10(18)7-15(2,3)9-17-13(19)12-8-16-14(21-12)11-5-4-6-20-11/h4-6,8,10,18H,7,9H2,1-3H3,(H,17,19)
InChIKeyIQTWKNKESFEGHG-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.40
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 111480449) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID111480449
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cnc(-c2cccs2)s1
InChIInChI=1S/C15H20N2O2S2/c1-10(18)7-15(2,3)9-17-13(19)12-8-16-14(21-12)11-5-4-6-20-11/h4-6,8,10,18H,7,9H2,1-3H3,(H,17,19)
InChIKeyIQTWKNKESFEGHG-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 111480419
N-(4-hydroxy-2,2-dimethylpentyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 71972444
2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 130667272
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)thiophene-2-carboxamide
CID 110007408
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
N-(2-amino-2-methylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626129
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 111479812
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
CID 109381044
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
2-(2-thiophen-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 115091257

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 111480449) is N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is CC(O)CC(C)(C)CNC(=O)c1cnc(-c2cccs2)s1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IQTWKNKESFEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10(18)7-15(2,3)9-17-13(19)12-8-16-14(21-12)11-5-4-6-20-11/h4-6,8,10,18H,7,9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111480449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).