N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C16H22N2OS2 — CID 18197973

IUPACN-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H22N2OS2/c1-11(2)6-7-12(3)17-15(19)9-13-10-21-16(18-13)14-5-4-8-20-14/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyOWPHYHODPBCCGY-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.36
Rot. Bonds7

About N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 18197973) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID18197973
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC NameN-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C16H22N2OS2/c1-11(2)6-7-12(3)17-15(19)9-13-10-21-16(18-13)14-5-4-8-20-14/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyOWPHYHODPBCCGY-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 75414487
N-(2-amino-2-oxoethoxy)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 112551146
N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119668132
(2S)-4-methyl-2-[[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694889
N-(5-hydroxy-4-methylpentyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103861890
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 18197973) is N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)CCC(C)NC(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OWPHYHODPBCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-11(2)6-7-12(3)17-15(19)9-13-10-21-16(18-13)14-5-4-8-20-14/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 322.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18197973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).