3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

C14H11FN4OS — CID 122275801

IUPAC3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccc(F)c1
InChIInChI=1S/C14H11FN4OS/c15-11-3-1-2-10(6-11)14(20)16-7-12-8-19(18-17-12)13-4-5-21-9-13/h1-6,8-9H,7H2,(H,16,20)
InChIKeyGMTOAVVMJTVCEC-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.40
Rot. Bonds4

About 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide

3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (PubChem CID 122275801) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
PubChem CID122275801
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccsc2)nn1)c1cccc(F)c1
InChIInChI=1S/C14H11FN4OS/c15-11-3-1-2-10(6-11)14(20)16-7-12-8-19(18-17-12)13-4-5-21-9-13/h1-6,8-9H,7H2,(H,16,20)
InChIKeyGMTOAVVMJTVCEC-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883
2-chloro-4-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122162202
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
2,5-difluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276029
2-(1H-indol-3-yl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275829
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 121195848
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
3-(3,4-dichlorophenyl)-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propanamide
CID 122275740

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide (CID 122275801) is 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is O=C(NCc1cn(-c2ccsc2)nn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
The InChIKey is GMTOAVVMJTVCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-11-3-1-2-10(6-11)14(20)16-7-12-8-19(18-17-12)13-4-5-21-9-13/h1-6,8-9H,7H2,(H,16,20).
What are the key properties of 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide?
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide has a molecular weight of 302.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 122275801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).