2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C12H12ClFN4OS — CID 129052370

IUPAC2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ncccc2F)c(Cl)s1
InChIInChI=1S/C12H12ClFN4OS/c13-11-10(18-9(20-11)3-4-15)12(19)17-6-8-7(14)2-1-5-16-8/h1-2,5H,3-4,6,15H2,(H,17,19)
InChIKeyNGTZYOXYGCFUFI-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.76
Rot. Bonds5

About 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 129052370) has the molecular formula C12H12ClFN4OS and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID129052370
Molecular FormulaC12H12ClFN4OS
Molecular Weight314.77 g/mol
Exact Mass314.04
IUPAC Name2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ncccc2F)c(Cl)s1
InChIInChI=1S/C12H12ClFN4OS/c13-11-10(18-9(20-11)3-4-15)12(19)17-6-8-7(14)2-1-5-16-8/h1-2,5H,3-4,6,15H2,(H,17,19)
InChIKeyNGTZYOXYGCFUFI-UHFFFAOYSA-N
XLogP1.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 135356148
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 129052705
6-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 129052585
2,4-dichloro-N-[(3-fluoro-2-pyridinyl)methyl]-6-hydroxybenzamide
CID 71967685
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;ethane
CID 145298054
1-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;dihydrochloride
CID 129052683
2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052163
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
2-[2-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052434
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 129052370) is 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCc2ncccc2F)c(Cl)s1.
What is the InChIKey of 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NGTZYOXYGCFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4OS/c13-11-10(18-9(20-11)3-4-15)12(19)17-6-8-7(14)2-1-5-16-8/h1-2,5H,3-4,6,15H2,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-chloro-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129052370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).