3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide

C14H17N3OS — CID 103420709

IUPAC3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
SMILESCc1ccc(CN(C)c2cc(N)c(C(N)=O)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-9-3-5-10(6-4-9)8-17(2)12-7-11(15)13(19-12)14(16)18/h3-7H,8,15H2,1-2H3,(H2,16,18)
InChIKeyNOADFIWKAIVTJM-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.37
Rot. Bonds4

About 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide

3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide (PubChem CID 103420709) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
PubChem CID103420709
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
SMILESCc1ccc(CN(C)c2cc(N)c(C(N)=O)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-9-3-5-10(6-4-9)8-17(2)12-7-11(15)13(19-12)14(16)18/h3-7H,8,15H2,1-2H3,(H2,16,18)
InChIKeyNOADFIWKAIVTJM-UHFFFAOYSA-N
XLogP2.37
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
1-[3-amino-5-[methyl(pyridin-4-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509289
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
3-amino-4-methoxy-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420717
methyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]thiophene-2-carboxylate
CID 103526608
3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
CID 103526615
2-[methyl-[(4-methylphenyl)methyl]amino]-5-oxothieno[3,2-b]pyran-6-carboxylic acid
CID 158903943
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
4-iodo-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 66065655

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide (CID 103420709) is 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide is Cc1ccc(CN(C)c2cc(N)c(C(N)=O)s2)cc1.
What is the InChIKey of 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
The InChIKey is NOADFIWKAIVTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-5-10(6-4-9)8-17(2)12-7-11(15)13(19-12)14(16)18/h3-7H,8,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide?
3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 103420709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).