4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide

C10H13N5OS — CID 113412359

IUPAC4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCn2ccnn2)cc1N
InChIInChI=1S/C10H13N5OS/c1-7-8(11)6-9(17-7)10(16)12-2-4-15-5-3-13-14-15/h3,5-6H,2,4,11H2,1H3,(H,12,16)
InChIKeyCWCNPGIPBOUXDP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.66
Rot. Bonds4

About 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide

4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 113412359) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID113412359
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCn2ccnn2)cc1N
InChIInChI=1S/C10H13N5OS/c1-7-8(11)6-9(17-7)10(16)12-2-4-15-5-3-13-14-15/h3,5-6H,2,4,11H2,1H3,(H,12,16)
InChIKeyCWCNPGIPBOUXDP-UHFFFAOYSA-N
XLogP0.66
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 113412348
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357
4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 114173699
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
2-amino-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 113413222
4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 113412354
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
4-amino-N-(2,5-dimethylpyrazol-3-yl)-5-methylthiophene-2-carboxamide
CID 61090609
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]thiophene-2-carboxamide
CID 61113294
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide (CID 113412359) is 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide is Cc1sc(C(=O)NCCn2ccnn2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CWCNPGIPBOUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-8(11)6-9(17-7)10(16)12-2-4-15-5-3-13-14-15/h3,5-6H,2,4,11H2,1H3,(H,12,16).
What are the key properties of 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113412359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).