4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine

C12H14FN3OS — CID 82487308

IUPAC4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
SMILESCC(C)Oc1ccc(-c2nc(N)sc2N)cc1F
InChIInChI=1S/C12H14FN3OS/c1-6(2)17-9-4-3-7(5-8(9)13)10-11(14)18-12(15)16-10/h3-6H,14H2,1-2H3,(H2,15,16)
InChIKeyLIWONGBKCQETBD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds3

About 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine

4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine (PubChem CID 82487308) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
PubChem CID82487308
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
SMILESCC(C)Oc1ccc(-c2nc(N)sc2N)cc1F
InChIInChI=1S/C12H14FN3OS/c1-6(2)17-9-4-3-7(5-8(9)13)10-11(14)18-12(15)16-10/h3-6H,14H2,1-2H3,(H2,15,16)
InChIKeyLIWONGBKCQETBD-UHFFFAOYSA-N
XLogP2.90
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine 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

[3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82485077
4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106741
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-imidazol-2-amine
CID 82291079
2-cyclopentyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-amine
CID 65096025
2-amino-4-(3-fluoro-4-propan-2-yloxyphenyl)furan-3-carbonitrile
CID 82484359
4-(3-fluoro-4-propan-2-yloxyphenyl)-5-methyl-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 141335906
3-amino-5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 98022153
4-(4-phenylphenyl)-1,3-thiazole-2,5-diamine
CID 82342174
4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
CID 82342230
8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
CID 167832358

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine (CID 82487308) is 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine is CC(C)Oc1ccc(-c2nc(N)sc2N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is LIWONGBKCQETBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-6(2)17-9-4-3-7(5-8(9)13)10-11(14)18-12(15)16-10/h3-6H,14H2,1-2H3,(H2,15,16).
What are the key properties of 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine?
4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 267.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82487308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).