3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide

C14H16FN3OS2 — CID 103418142

IUPAC3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N(C)Cc2ccc(F)cc2)sc(C(N)=O)c1N
InChIInChI=1S/C14H16FN3OS2/c1-18(7-8-3-5-9(15)6-4-8)14-12(20-2)10(16)11(21-14)13(17)19/h3-6H,7,16H2,1-2H3,(H2,17,19)
InChIKeyBMYBEUBVZXVUGR-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.93
Rot. Bonds5

About 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103418142) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103418142
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC Name3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(N(C)Cc2ccc(F)cc2)sc(C(N)=O)c1N
InChIInChI=1S/C14H16FN3OS2/c1-18(7-8-3-5-9(15)6-4-8)14-12(20-2)10(16)11(21-14)13(17)19/h3-6H,7,16H2,1-2H3,(H2,17,19)
InChIKeyBMYBEUBVZXVUGR-UHFFFAOYSA-N
XLogP2.93
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-N-(4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490333
2-(2-{N-[(4-Fluorophenyl)methyl]propanamido}acetamido)-4,5-dimethylthiophene-3-carboxamide
CID 1460377
5-(4-Fluoro-phenyl)-3-methylamino-thiophene-2-carboxylic acid amide
CID 11579690
2-(2-((4-Fluorophenyl)thio)acetamido)-4,5-dimethylthiophene-3-carboxamide
CID 7287184
6-Ethyl-2-{[(p-fluorophenylthio)methyl]carbonylamino}-1-thia-6-aza-4,5,6,7-tetrahydro-3-indenecarboxamide
CID 7546152
2-[3-(p-Fluorophenylthio)propionylamino]-6-isopropyl-1-thia-6-aza-4,5,6,7-tetrahydro-3-indenecarboxamide
CID 7546444
3-Dimethylamino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid amide
CID 11499932
4-ethyl-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxamide
CID 896311
4-Amino-2-(ethylamino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
CID 912882
2-(2-{N-[(4-Fluorophenyl)methyl]butanamido}acetamido)-4,5-dimethylthiophene-3-carboxamide
CID 3217126
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7546188
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7546191

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide (CID 103418142) is 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide is CSc1c(N(C)Cc2ccc(F)cc2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is BMYBEUBVZXVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c1-18(7-8-3-5-9(15)6-4-8)14-12(20-2)10(16)11(21-14)13(17)19/h3-6H,7,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103418142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).