N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide

C14H16N4OS2 — CID 71976792

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
SMILESCc1sc(NC(=O)CN(C)Cc2cscn2)c(C#N)c1C
InChIInChI=1S/C14H16N4OS2/c1-9-10(2)21-14(12(9)4-15)17-13(19)6-18(3)5-11-7-20-8-16-11/h7-8H,5-6H2,1-3H3,(H,17,19)
InChIKeyRXRULEOUGLDHSC-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.76
Rot. Bonds5

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide (PubChem CID 71976792) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
PubChem CID71976792
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
SMILESCc1sc(NC(=O)CN(C)Cc2cscn2)c(C#N)c1C
InChIInChI=1S/C14H16N4OS2/c1-9-10(2)21-14(12(9)4-15)17-13(19)6-18(3)5-11-7-20-8-16-11/h7-8H,5-6H2,1-3H3,(H,17,19)
InChIKeyRXRULEOUGLDHSC-UHFFFAOYSA-N
XLogP2.76
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 78821213
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78826535
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820896
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802801
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide (CID 71976792) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide is Cc1sc(NC(=O)CN(C)Cc2cscn2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
The InChIKey is RXRULEOUGLDHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9-10(2)21-14(12(9)4-15)17-13(19)6-18(3)5-11-7-20-8-16-11/h7-8H,5-6H2,1-3H3,(H,17,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 71976792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).