2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C11H16ClN5OS — CID 120617285

IUPAC2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C11H15N5OS.ClH/c1-6-10(7(2)16-15-6)14-11(17)8-5-18-9(13-8)3-4-12;/h5H,3-4,12H2,1-2H3,(H,14,17)(H,15,16);1H
InChIKeySOZYRTGQZQFESS-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120617285) has the molecular formula C11H16ClN5OS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120617285
Molecular FormulaC11H16ClN5OS
Molecular Weight301.80 g/mol
Exact Mass301.08
IUPAC Name2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C11H15N5OS.ClH/c1-6-10(7(2)16-15-6)14-11(17)8-5-18-9(13-8)3-4-12;/h5H,3-4,12H2,1-2H3,(H,14,17)(H,15,16);1H
InChIKeySOZYRTGQZQFESS-UHFFFAOYSA-N
XLogP1.66
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120617285) is 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is Cc1n[nH]c(C)c1NC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is SOZYRTGQZQFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS.ClH/c1-6-10(7(2)16-15-6)14-11(17)8-5-18-9(13-8)3-4-12;/h5H,3-4,12H2,1-2H3,(H,14,17)(H,15,16);1H.
What are the key properties of 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).