N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide

C16H22N2OS2 — CID 50971715

IUPACN-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCCC(C)N(Cc1ccsc1)C(=O)Cc1nc(C)sc1C
InChIInChI=1S/C16H22N2OS2/c1-5-11(2)18(9-14-6-7-20-10-14)16(19)8-15-12(3)21-13(4)17-15/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyAGWUINGTCWFQKR-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.19
Rot. Bonds6

About N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide

N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 50971715) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID50971715
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC NameN-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCCC(C)N(Cc1ccsc1)C(=O)Cc1nc(C)sc1C
InChIInChI=1S/C16H22N2OS2/c1-5-11(2)18(9-14-6-7-20-10-14)16(19)8-15-12(3)21-13(4)17-15/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyAGWUINGTCWFQKR-UHFFFAOYSA-N
XLogP4.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-propan-2-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66569001
2-[butan-2-yl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197361
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
3-[ethyl-(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 62822072
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)thiophene-3-carboxamide
CID 46993383
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
CID 50965842
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 138994049
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
CID 50983418
N-butan-2-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009312
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 91839447

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 50971715) is N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide is CCC(C)N(Cc1ccsc1)C(=O)Cc1nc(C)sc1C.
What is the InChIKey of N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is AGWUINGTCWFQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-5-11(2)18(9-14-6-7-20-10-14)16(19)8-15-12(3)21-13(4)17-15/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 322.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 50971715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).