3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine

C14H16ClFN2S — CID 61337081

IUPAC3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C14H16ClFN2S/c1-3-14(17,4-2)13-18-12(8-19-13)9-5-6-11(16)10(15)7-9/h5-8H,3-4,17H2,1-2H3
InChIKeyZZMSCCHJUOVBJT-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.58
Rot. Bonds4

About 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine

3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine (PubChem CID 61337081) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
PubChem CID61337081
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC Name3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C14H16ClFN2S/c1-3-14(17,4-2)13-18-12(8-19-13)9-5-6-11(16)10(15)7-9/h5-8H,3-4,17H2,1-2H3
InChIKeyZZMSCCHJUOVBJT-UHFFFAOYSA-N
XLogP4.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
[4-(4-Chloro-phenyl)-thiazol-2-yl]-cyclopentylidene-acetonitrile
CID 742475
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
4-(4-Chloro-phenyl)-2-(2,2-dimethyl-tetrahydro-thiopyran-4-yl)-thiazole
CID 11957319
2-(4-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71450755
2-(3-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71461520
2-(2,3-Dichlorophenyl)-4-phenyl-1,3-thiazole
CID 71463263
2-(5-Chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
CID 71463264
Thiazole, 2-(p-chlorophenyl)-4-methyl-
CID 551909
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 5713585
4-(4-Chlorophenyl)-2-phenyl-1,3-thiazole
CID 677859

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine (CID 61337081) is 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine?
The InChIKey is ZZMSCCHJUOVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-3-14(17,4-2)13-18-12(8-19-13)9-5-6-11(16)10(15)7-9/h5-8H,3-4,17H2,1-2H3.
What are the key properties of 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine?
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine has a molecular weight of 298.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine is sourced from PubChem (CID 61337081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).