[5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

C12H10FN3OS — CID 64792862

IUPAC[5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2cc(F)ccc2o1
InChIInChI=1S/C12H10FN3OS/c1-6-11(18-10(5-14)15-6)12-16-8-4-7(13)2-3-9(8)17-12/h2-4H,5,14H2,1H3
InChIKeyFDLUWQUZKDDTMO-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.86
Rot. Bonds2

About [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

[5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 64792862) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID64792862
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name[5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2cc(F)ccc2o1
InChIInChI=1S/C12H10FN3OS/c1-6-11(18-10(5-14)15-6)12-16-8-4-7(13)2-3-9(8)17-12/h2-4H,5,14H2,1H3
InChIKeyFDLUWQUZKDDTMO-UHFFFAOYSA-N
XLogP2.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-[(1,3-Benzoxazol-2-ylsulfanyl)methyl]-1,3-thiazol-2-yl}acetonitrile
CID 914556
2-(1,3-Benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole
CID 2367151
(2S,4R)-1-acetyl-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-4-phenylsulfanylpyrrolidine-2-carboxamide
CID 71625897
2-(Thiophen-2-yl)benzo[d]oxazole
CID 11401408
US20230295140, Example 22
CID 153556070
3-[(5-Fluoro-1,3-benzoxazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 155522338
N-[3-(1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-3-(propan-2-ylamino)propanamide
CID 155548745
(5Z)-5-[[5-(1,3-benzoxazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 121395593
2(3H)-thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-
CID 404451
2-(1,3-benzoxazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 71865496
2-(1,3-benzoxazol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 71865497
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine
CID 71975787

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 64792862) is [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc2cc(F)ccc2o1.
What is the InChIKey of [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is FDLUWQUZKDDTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c1-6-11(18-10(5-14)15-6)12-16-8-4-7(13)2-3-9(8)17-12/h2-4H,5,14H2,1H3.
What are the key properties of [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-1,3-benzoxazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 64792862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).