2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C10H13ClN4OS2 — CID 120616958

IUPAC2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cnc(NC(=O)c2csc(CCN)n2)s1.Cl
InChIInChI=1S/C10H12N4OS2.ClH/c1-6-4-12-10(17-6)14-9(15)7-5-16-8(13-7)2-3-11;/h4-5H,2-3,11H2,1H3,(H,12,14,15);1H
InChIKeyMCNYCYGLTMRQRS-UHFFFAOYSA-N
MW304.83 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120616958) has the molecular formula C10H13ClN4OS2 and a molecular weight of 304.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120616958
Molecular FormulaC10H13ClN4OS2
Molecular Weight304.83 g/mol
Exact Mass304.02
IUPAC Name2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cnc(NC(=O)c2csc(CCN)n2)s1.Cl
InChIInChI=1S/C10H12N4OS2.ClH/c1-6-4-12-10(17-6)14-9(15)7-5-16-8(13-7)2-3-11;/h4-5H,2-3,11H2,1H3,(H,12,14,15);1H
InChIKeyMCNYCYGLTMRQRS-UHFFFAOYSA-N
XLogP2.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120616958) is 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is Cc1cnc(NC(=O)c2csc(CCN)n2)s1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is MCNYCYGLTMRQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2.ClH/c1-6-4-12-10(17-6)14-9(15)7-5-16-8(13-7)2-3-11;/h4-5H,2-3,11H2,1H3,(H,12,14,15);1H.
What are the key properties of 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 304.83 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).