3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C15H12FN5OS — CID 37266027

IUPAC3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C15H12FN5OS/c16-10-3-1-2-9(6-10)7-11-8-20-15(23-11)21-14(22)12-13(17)19-5-4-18-12/h1-6,8H,7H2,(H2,17,19)(H,20,21,22)
InChIKeyJKCQVYDZAQGFIX-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide

3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 37266027) has the molecular formula C15H12FN5OS and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID37266027
Molecular FormulaC15H12FN5OS
Molecular Weight329.36 g/mol
Exact Mass329.07
IUPAC Name3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1
InChIInChI=1S/C15H12FN5OS/c16-10-3-1-2-9(6-10)7-11-8-20-15(23-11)21-14(22)12-13(17)19-5-4-18-12/h1-6,8H,7H2,(H2,17,19)(H,20,21,22)
InChIKeyJKCQVYDZAQGFIX-UHFFFAOYSA-N
XLogP2.50
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
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CID 119719234
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
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N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide
CID 37255354
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
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N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
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methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55873263
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527
2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 37266027) is 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1.
What is the InChIKey of 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is JKCQVYDZAQGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5OS/c16-10-3-1-2-9(6-10)7-11-8-20-15(23-11)21-14(22)12-13(17)19-5-4-18-12/h1-6,8H,7H2,(H2,17,19)(H,20,21,22).
What are the key properties of 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 37266027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).