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

C13H12N4OS — CID 66374193

IUPAC2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2cccc(C#N)c2)cs1
InChIInChI=1S/C13H12N4OS/c1-8(15)13-17-11(7-19-13)12(18)16-10-4-2-3-9(5-10)6-14/h2-5,7-8H,15H2,1H3,(H,16,18)
InChIKeyNDHFELKFOUNFOF-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.29
Rot. Bonds3

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

2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66374193) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
PubChem CID66374193
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2cccc(C#N)c2)cs1
InChIInChI=1S/C13H12N4OS/c1-8(15)13-17-11(7-19-13)12(18)16-10-4-2-3-9(5-10)6-14/h2-5,7-8H,15H2,1H3,(H,16,18)
InChIKeyNDHFELKFOUNFOF-UHFFFAOYSA-N
XLogP2.29
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632
2-(1-aminoethyl)-N-(2-bromo-4-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66388871
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
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-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506082
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide (CID 66374193) is 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)Nc2cccc(C#N)c2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NDHFELKFOUNFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8(15)13-17-11(7-19-13)12(18)16-10-4-2-3-9(5-10)6-14/h2-5,7-8H,15H2,1H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.29, 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-(3-cyanophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).