N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide

C12H15N7OS — CID 67247520

IUPACN-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(Cc2c[nH]c3ncsc23)nn1
InChIInChI=1S/C12H15N7OS/c13-1-2-14-10(20)6-19-5-9(17-18-19)3-8-4-15-12-11(8)21-7-16-12/h4-5,7,15H,1-3,6,13H2,(H,14,20)
InChIKeyDARLJHYQNAQCGC-UHFFFAOYSA-N
MW305.37 g/mol
LogP-0.12
Rot. Bonds6

About N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide

N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide (PubChem CID 67247520) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide
PubChem CID67247520
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC NameN-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide
SMILESNCCNC(=O)Cn1cc(Cc2c[nH]c3ncsc23)nn1
InChIInChI=1S/C12H15N7OS/c13-1-2-14-10(20)6-19-5-9(17-18-19)3-8-4-15-12-11(8)21-7-16-12/h4-5,7,15H,1-3,6,13H2,(H,14,20)
InChIKeyDARLJHYQNAQCGC-UHFFFAOYSA-N
XLogP-0.12
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide (CID 67247520) is N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide is NCCNC(=O)Cn1cc(Cc2c[nH]c3ncsc23)nn1.
What is the InChIKey of N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide?
The InChIKey is DARLJHYQNAQCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c13-1-2-14-10(20)6-19-5-9(17-18-19)3-8-4-15-12-11(8)21-7-16-12/h4-5,7,15H,1-3,6,13H2,(H,14,20).
What are the key properties of N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide?
N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide has a molecular weight of 305.37 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[4-(4H-pyrrolo[2,3-d][1,3]thiazol-6-ylmethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 67247520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).