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

C11H15N5OS — CID 66388849

IUPAC2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C11H15N5OS/c1-5(12)11-13-8(4-18-11)10(17)14-9-6(2)15-16-7(9)3/h4-5H,12H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyWFQVUNFAVQDLRT-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.76
Rot. Bonds3

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

2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66388849) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID66388849
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C11H15N5OS/c1-5(12)11-13-8(4-18-11)10(17)14-9-6(2)15-16-7(9)3/h4-5H,12H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyWFQVUNFAVQDLRT-UHFFFAOYSA-N
XLogP1.76
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 66388849) is 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WFQVUNFAVQDLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-5(12)11-13-8(4-18-11)10(17)14-9-6(2)15-16-7(9)3/h4-5H,12H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).