(4-fluoro-1,3-thiazol-2-yl)methanamine

C4H5FN2S — CID 67482694

IUPAC(4-fluoro-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(F)cs1
InChIInChI=1S/C4H5FN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2
InChIKeyNBRXKFHQLMHKNU-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds1

About (4-fluoro-1,3-thiazol-2-yl)methanamine

(4-fluoro-1,3-thiazol-2-yl)methanamine (PubChem CID 67482694) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is (4-fluoro-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-1,3-thiazol-2-yl)methanamine
PubChem CID67482694
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name(4-fluoro-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(F)cs1
InChIInChI=1S/C4H5FN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2
InChIKeyNBRXKFHQLMHKNU-UHFFFAOYSA-N
XLogP0.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chloro-1,3-thiazol-2-yl)methanamine
CID 67482391
4-Fluoro-2-methyl-1,3-thiazole
CID 56932271
2-Thiazolemethanamine, 4-bromo-N-(2,2,2-trifluoroethyl)-
CID 66722761
[4-(Fluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 84762941
(4-Bromothiazol-2-yl)methanamine hydrochloride
CID 44630590
(4-Bromothiazol-2-YL)methanamine
CID 44630591
S-[[2-(aminomethyl)-1,3-thiazol-4-yl]] carbamothioate
CID 57313068
(4-Methylsulfanyl-1,3-thiazol-2-yl)methanamine
CID 118185511
1-(4-bromo-1,3-thiazol-2-yl)-N-iodomethanamine
CID 129171315
(4-Hydroxysulfanyl-1,3-thiazol-2-yl)methanamine
CID 130358226
(4-Iodo-1,3-thiazol-2-yl)methanamine
CID 148764752
2-(Aminomethyl)-1,3-thiazole-4-thiol
CID 163546642

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-fluoro-1,3-thiazol-2-yl)methanamine (CID 67482694) is (4-fluoro-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-fluoro-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-fluoro-1,3-thiazol-2-yl)methanamine is NCc1nc(F)cs1.
What is the InChIKey of (4-fluoro-1,3-thiazol-2-yl)methanamine?
The InChIKey is NBRXKFHQLMHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2.
What are the key properties of (4-fluoro-1,3-thiazol-2-yl)methanamine?
(4-fluoro-1,3-thiazol-2-yl)methanamine has a molecular weight of 132.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 67482694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).