4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

C16H13FN4OS — CID 53141228

IUPAC4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESNc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H13FN4OS/c17-11-6-2-1-5-10(11)9-20-16(22)15-13(18)14(21-23-15)12-7-3-4-8-19-12/h1-8H,9,18H2,(H,20,22)
InChIKeyDEFMQSIITFCGDF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.86
Rot. Bonds4

About 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide

4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 53141228) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
PubChem CID53141228
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
SMILESNc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H13FN4OS/c17-11-6-2-1-5-10(11)9-20-16(22)15-13(18)14(21-23-15)12-7-3-4-8-19-12/h1-8H,9,18H2,(H,20,22)
InChIKeyDEFMQSIITFCGDF-UHFFFAOYSA-N
XLogP2.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141242
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331410
4-amino-3-N-(cyclopropylmethyl)-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53335804
4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905826
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62248324
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide (CID 53141228) is 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is DEFMQSIITFCGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-11-6-2-1-5-10(11)9-20-16(22)15-13(18)14(21-23-15)12-7-3-4-8-19-12/h1-8H,9,18H2,(H,20,22).
What are the key properties of 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide?
4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53141228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).