N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C16H22N2OS2 — CID 86986105

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C(C)NC(=O)Cc2csc(C(C)C)n2)c(C)s1
InChIInChI=1S/C16H22N2OS2/c1-9(2)16-18-13(8-20-16)7-15(19)17-11(4)14-6-10(3)21-12(14)5/h6,8-9,11H,7H2,1-5H3,(H,17,19)
InChIKeyLXKCLCZOVFJQFR-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.36
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 86986105) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID86986105
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C(C)NC(=O)Cc2csc(C(C)C)n2)c(C)s1
InChIInChI=1S/C16H22N2OS2/c1-9(2)16-18-13(8-20-16)7-15(19)17-11(4)14-6-10(3)21-12(14)5/h6,8-9,11H,7H2,1-5H3,(H,17,19)
InChIKeyLXKCLCZOVFJQFR-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 75414487
N-(1-hydroxypropan-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 110890212
2-(5-amino-2-pyridinyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide;hydrochloride
CID 120621940
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38900998
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
2-(1-aminoethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66390401
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]ethyl]-2-methylpropanamide
CID 86931458
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 86986105) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is Cc1cc(C(C)NC(=O)Cc2csc(C(C)C)n2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LXKCLCZOVFJQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-9(2)16-18-13(8-20-16)7-15(19)17-11(4)14-6-10(3)21-12(14)5/h6,8-9,11H,7H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 322.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 86986105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).