N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide

C12H10N4OS2 — CID 122162192

IUPACN-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccs1
InChIInChI=1S/C12H10N4OS2/c17-12(11-2-1-4-19-11)13-6-9-7-16(15-14-9)10-3-5-18-8-10/h1-5,7-8H,6H2,(H,13,17)
InChIKeyLSHFSQXHSHWPCK-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.32
Rot. Bonds4

About N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide

N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 122162192) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID122162192
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC NameN-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccs1
InChIInChI=1S/C12H10N4OS2/c17-12(11-2-1-4-19-11)13-6-9-7-16(15-14-9)10-3-5-18-8-10/h1-5,7-8H,6H2,(H,13,17)
InChIKeyLSHFSQXHSHWPCK-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxolane-3-carboxamide
CID 122275874
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275792
4-phenyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]oxane-4-carboxamide
CID 122275716
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740
1-(3,5-dimethoxyphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275982
1-quinolin-5-yl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275943

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide (CID 122162192) is N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide is O=C(NCc1cn(-c2ccsc2)nn1)c1cccs1.
What is the InChIKey of N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is LSHFSQXHSHWPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c17-12(11-2-1-4-19-11)13-6-9-7-16(15-14-9)10-3-5-18-8-10/h1-5,7-8H,6H2,(H,13,17).
What are the key properties of N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide?
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 122162192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).