N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide

C19H23N5OS — CID 119525513

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cn(Cc3cccs3)nn2)cc1
InChIInChI=1S/C19H23N5OS/c1-13(2)14-5-7-15(8-6-14)17(20)10-21-19(25)18-12-24(23-22-18)11-16-4-3-9-26-16/h3-9,12-13,17H,10-11,20H2,1-2H3,(H,21,25)
InChIKeyOGPONBZPXZCCGC-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.94
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 119525513) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID119525513
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cn(Cc3cccs3)nn2)cc1
InChIInChI=1S/C19H23N5OS/c1-13(2)14-5-7-15(8-6-14)17(20)10-21-19(25)18-12-24(23-22-18)11-16-4-3-9-26-16/h3-9,12-13,17H,10-11,20H2,1-2H3,(H,21,25)
InChIKeyOGPONBZPXZCCGC-UHFFFAOYSA-N
XLogP2.94
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119225272
N-[3-(methylamino)propyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119429941
6-[[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]hexanoic acid
CID 119219901
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 119526791
2-[4-(thiophen-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288328
3-[ethyl-[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119191173
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 120889134
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
2-[4-(1-thiophen-2-ylpropan-2-ylcarbamoyl)triazol-1-yl]acetic acid
CID 66288982

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 119525513) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide is CC(C)c1ccc(C(N)CNC(=O)c2cn(Cc3cccs3)nn2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is OGPONBZPXZCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13(2)14-5-7-15(8-6-14)17(20)10-21-19(25)18-12-24(23-22-18)11-16-4-3-9-26-16/h3-9,12-13,17H,10-11,20H2,1-2H3,(H,21,25).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119525513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).