N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C16H22N2O2S2 — CID 111480419

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H22N2O2S2/c1-11(19)8-16(2,3)10-17-14(20)7-12-9-22-15(18-12)13-5-4-6-21-13/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyQOTFRLTVLCVVQP-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.33
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 111480419) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID111480419
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H22N2O2S2/c1-11(19)8-16(2,3)10-17-14(20)7-12-9-22-15(18-12)13-5-4-6-21-13/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyQOTFRLTVLCVVQP-UHFFFAOYSA-N
XLogP3.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-(4-hydroxy-2,2-dimethylpentyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 111480449
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
2-hydroxy-4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107832419
N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
(2S)-4-methyl-2-[[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694889

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 111480419) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CC(O)CC(C)(C)CNC(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QOTFRLTVLCVVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-11(19)8-16(2,3)10-17-14(20)7-12-9-22-15(18-12)13-5-4-6-21-13/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 3.33, 7 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-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 111480419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).