2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H15N5OS — CID 66390133

IUPAC2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc1CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C11H15N5OS/c1-16-5-4-13-9(16)6-14-11(17)8-7-18-10(15-8)2-3-12/h4-5,7H,2-3,6,12H2,1H3,(H,14,17)
InChIKeyIHVZALTXZBZISV-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.31
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66390133) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66390133
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc1CNC(=O)c1csc(CCN)n1
InChIInChI=1S/C11H15N5OS/c1-16-5-4-13-9(16)6-14-11(17)8-7-18-10(15-8)2-3-12/h4-5,7H,2-3,6,12H2,1H3,(H,14,17)
InChIKeyIHVZALTXZBZISV-UHFFFAOYSA-N
XLogP0.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63293629
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647670
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388753
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533295
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
2-(2-aminoethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 80682880
2-(2-aminoethyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640698
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 66390133) is 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cn1ccnc1CNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IHVZALTXZBZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-5-4-13-9(16)6-14-11(17)8-7-18-10(15-8)2-3-12/h4-5,7H,2-3,6,12H2,1H3,(H,14,17).
What are the key properties of 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).