1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

C16H23N5O2S — CID 45223370

IUPAC1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCNC(=O)C(C)(C)C)nn1)c1cccs1
InChIInChI=1S/C16H23N5O2S/c1-11(13-6-5-9-24-13)18-14(22)12-10-21(20-19-12)8-7-17-15(23)16(2,3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,23)(H,18,22)
InChIKeySBBMEYSKTGBDJY-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.99
Rot. Bonds6

About 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 45223370) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID45223370
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCNC(=O)C(C)(C)C)nn1)c1cccs1
InChIInChI=1S/C16H23N5O2S/c1-11(13-6-5-9-24-13)18-14(22)12-10-21(20-19-12)8-7-17-15(23)16(2,3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,23)(H,18,22)
InChIKeySBBMEYSKTGBDJY-UHFFFAOYSA-N
XLogP1.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45190447
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2-[[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119225272
1-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103251827
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]triazole-4-carboxamide
CID 94813373
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982
1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
CID 146121249
2,2-dimethyl-N-[(1-thiophen-2-yltriazol-4-yl)methyl]propanamide
CID 126851390
methyl 3-[(1-benzyltriazole-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 134033627
1-(2-thiophen-2-ylsulfanylethyl)triazole-4-carbohydrazide
CID 63581173
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103246680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (CID 45223370) is 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is CC(NC(=O)c1cn(CCNC(=O)C(C)(C)C)nn1)c1cccs1.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is SBBMEYSKTGBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11(13-6-5-9-24-13)18-14(22)12-10-21(20-19-12)8-7-17-15(23)16(2,3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,23)(H,18,22).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 45223370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).