1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

C14H19N5O2S — CID 42404427

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCc2ccsc2)nn1
InChIInChI=1S/C14H19N5O2S/c1-3-18(4-2)13(20)9-19-8-12(16-17-19)14(21)15-7-11-5-6-22-10-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,21)
InChIKeyAHWYDTIMJPPBRH-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.14
Rot. Bonds7

About 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (PubChem CID 42404427) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
PubChem CID42404427
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCc2ccsc2)nn1
InChIInChI=1S/C14H19N5O2S/c1-3-18(4-2)13(20)9-19-8-12(16-17-19)14(21)15-7-11-5-6-22-10-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,21)
InChIKeyAHWYDTIMJPPBRH-UHFFFAOYSA-N
XLogP1.14
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cis-4-aminocyclohexyl)-N-[(3-methyl-2-thienyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70787719
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-methyltriazole-4-carboxamide
CID 100690813
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 164631873
1-{[(2S,4S)-4-Fluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
CID 137901864
((2S,4S)-4-Fluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-YL]methyl}tetrahydro-1H-pyrrol-1-YL)(3-thienyl)methanone
CID 137901899
1-{[(2S)-4,4-Difluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 137904082
1-{[(2S)-4,4-Difluoro-1-(3-thienylcarbonyl)tetrahydro-1H-pyrrol-2-YL]methyl}-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 137904228
(1-{[(2S)-4,4-Difluoro-1-(3-thienylmethyl)tetrahydro-1H-pyrrol-2-YL]methyl}-1H-1,2,3-triazol-4-YL)(1-pyrrolidinyl)methanone
CID 137961819
2-[4-[[4-(Trifluoromethyl)thiophen-3-yl]methylcarbamoyl]triazol-1-yl]acetic acid
CID 146142602
[1-[[4,4-Difluoro-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 171144343
1-[[4,4-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 171144375
N-(thiophen-3-ylmethyl)pyrazine-2-carboxamide
CID 25854050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (CID 42404427) is 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)NCc2ccsc2)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is AHWYDTIMJPPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-18(4-2)13(20)9-19-8-12(16-17-19)14(21)15-7-11-5-6-22-10-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,21).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 42404427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).