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

C11H12N4OS — CID 66372661

IUPAC2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccncc2)cs1
InChIInChI=1S/C11H12N4OS/c1-7(12)11-15-9(6-17-11)10(16)14-8-2-4-13-5-3-8/h2-7H,12H2,1H3,(H,13,14,16)
InChIKeyLUPLSACYZSNXTA-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.81
Rot. Bonds3

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

2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 66372661) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID66372661
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccncc2)cs1
InChIInChI=1S/C11H12N4OS/c1-7(12)11-15-9(6-17-11)10(16)14-8-2-4-13-5-3-8/h2-7H,12H2,1H3,(H,13,14,16)
InChIKeyLUPLSACYZSNXTA-UHFFFAOYSA-N
XLogP1.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 115377305
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 66372661) is 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)Nc2ccncc2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LUPLSACYZSNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7(12)11-15-9(6-17-11)10(16)14-8-2-4-13-5-3-8/h2-7H,12H2,1H3,(H,13,14,16).
What are the key properties of 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66372661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).