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

C10H12N4OS2 — CID 66372668

IUPAC2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2csc(CCN)n2)n1
InChIInChI=1S/C10H12N4OS2/c1-6-4-17-10(12-6)14-9(15)7-5-16-8(13-7)2-3-11/h4-5H,2-3,11H2,1H3,(H,12,14,15)
InChIKeyOVGZZRDBMPPICS-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.66
Rot. Bonds4

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

2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66372668) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID66372668
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2csc(CCN)n2)n1
InChIInChI=1S/C10H12N4OS2/c1-6-4-17-10(12-6)14-9(15)7-5-16-8(13-7)2-3-11/h4-5H,2-3,11H2,1H3,(H,12,14,15)
InChIKeyOVGZZRDBMPPICS-UHFFFAOYSA-N
XLogP1.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616958
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-aminoethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 107641921
2-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66372657
2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66389270
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 120647240
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 120620106
2-(2-aminoethyl)-N-(3-hydroxy-2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 66390225

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 66372668) is 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1csc(NC(=O)c2csc(CCN)n2)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OVGZZRDBMPPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-6-4-17-10(12-6)14-9(15)7-5-16-8(13-7)2-3-11/h4-5H,2-3,11H2,1H3,(H,12,14,15).
What are the key properties of 2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.37 g/mol, XLogP of 1.66, 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-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66372668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).