1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine

C12H12F2N2S — CID 114058402

IUPAC1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2cccc(F)c2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-2-9(15)12-16-10(6-17-12)7-4-3-5-8(13)11(7)14/h3-6,9H,2,15H2,1H3
InChIKeyIBRKJHHZUWVGQD-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.50
Rot. Bonds3

About 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine

1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 114058402) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID114058402
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2cccc(F)c2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-2-9(15)12-16-10(6-17-12)7-4-3-5-8(13)11(7)14/h3-6,9H,2,15H2,1H3
InChIKeyIBRKJHHZUWVGQD-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine
CID 706326
4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Amino-4-(2,4-difluorophenyl)thiazole
CID 611370
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-(Tert-butylsulfonylmethyl)-4-(3-fluorophenyl)-1,3-thiazole
CID 2742537
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 9583366

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine (CID 114058402) is 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine is CCC(N)c1nc(-c2cccc(F)c2F)cs1.
What is the InChIKey of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is IBRKJHHZUWVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-2-9(15)12-16-10(6-17-12)7-4-3-5-8(13)11(7)14/h3-6,9H,2,15H2,1H3.
What are the key properties of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 254.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 114058402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).