N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

C12H16N4O2S — CID 73167959

IUPACN-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)c1cn(C)nn1
InChIInChI=1S/C12H16N4O2S/c1-15-8-11(13-14-15)12(17)16(4-5-18-2)7-10-3-6-19-9-10/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyZXPHGQJZGLOQKK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.17
Rot. Bonds6

About N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (PubChem CID 73167959) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
PubChem CID73167959
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)c1cn(C)nn1
InChIInChI=1S/C12H16N4O2S/c1-15-8-11(13-14-15)12(17)16(4-5-18-2)7-10-3-6-19-9-10/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyZXPHGQJZGLOQKK-UHFFFAOYSA-N
XLogP1.17
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(diethylamino)-2-oxoethyl]-N-(3-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42404427
N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 164630867
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-(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
((2S)-4,4-Difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-YL]methyl}tetrahydro-1H-pyrrol-1-YL)(3-thienyl)methanone
CID 137961833
[1-[[4,4-Difluoro-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 171144343
[4,4-Difluoro-2-[[4-(morpholine-4-carbonyl)triazol-1-yl]methyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 171144352
1-[[4,4-difluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]methyl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 171144375
N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 72717902
4-(Ethoxymethyl)-1-[1-(thiophene-3-carbonyl)pyrrolidin-3-YL]-1H-1,2,3-triazole
CID 132337368

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (CID 73167959) is N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is COCCN(Cc1ccsc1)C(=O)c1cn(C)nn1.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is ZXPHGQJZGLOQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15-8-11(13-14-15)12(17)16(4-5-18-2)7-10-3-6-19-9-10/h3,6,8-9H,4-5,7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 73167959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).