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

C12H17N5OS — CID 155956623

IUPAC2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1[nH]nc(NC(=O)c2nc(C(C)N)sc2C)c1C
InChIInChI=1S/C12H17N5OS/c1-5-7(3)16-17-10(5)15-11(18)9-8(4)19-12(14-9)6(2)13/h6H,13H2,1-4H3,(H2,15,16,17,18)
InChIKeyOXOYSWPDFITPKN-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.06
Rot. Bonds3

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

2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 155956623) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID155956623
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1[nH]nc(NC(=O)c2nc(C(C)N)sc2C)c1C
InChIInChI=1S/C12H17N5OS/c1-5-7(3)16-17-10(5)15-11(18)9-8(4)19-12(14-9)6(2)13/h6H,13H2,1-4H3,(H2,15,16,17,18)
InChIKeyOXOYSWPDFITPKN-UHFFFAOYSA-N
XLogP2.06
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.06
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-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 155956623) is 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1[nH]nc(NC(=O)c2nc(C(C)N)sc2C)c1C.
What is the InChIKey of 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OXOYSWPDFITPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-7(3)16-17-10(5)15-11(18)9-8(4)19-12(14-9)6(2)13/h6H,13H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.06, 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-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155956623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).