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

C7H11N3OS — CID 66375134

IUPAC2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C7H11N3OS/c1-9-7(11)5-4-12-6(10-5)2-3-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyCQIJWCZPRZVHED-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.00
Rot. Bonds3

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

2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66375134) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID66375134
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C7H11N3OS/c1-9-7(11)5-4-12-6(10-5)2-3-8/h4H,2-3,8H2,1H3,(H,9,11)
InChIKeyCQIJWCZPRZVHED-UHFFFAOYSA-N
XLogP0.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120621953
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole-4-carboxamide
CID 79100029
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616584
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
CID 66389532

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 66375134) is 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CQIJWCZPRZVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-9-7(11)5-4-12-6(10-5)2-3-8/h4H,2-3,8H2,1H3,(H,9,11).
What are the key properties of 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).