N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H17BrClFN2S — CID 106285783

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2c(Cl)cc(F)cc2Br)S1
InChIInChI=1S/C14H17BrClFN2S/c1-3-8(4-2)12-7-18-14(20-12)19-13-10(15)5-9(17)6-11(13)16/h5-6,8,12H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyUAOZMACRYMQQPB-UHFFFAOYSA-N
MW379.73 g/mol
LogP5.56
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285783) has the molecular formula C14H17BrClFN2S and a molecular weight of 379.73 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285783
Molecular FormulaC14H17BrClFN2S
Molecular Weight379.73 g/mol
Exact Mass378.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2c(Cl)cc(F)cc2Br)S1
InChIInChI=1S/C14H17BrClFN2S/c1-3-8(4-2)12-7-18-14(20-12)19-13-10(15)5-9(17)6-11(13)16/h5-6,8,12H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyUAOZMACRYMQQPB-UHFFFAOYSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.73
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285783) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2c(Cl)cc(F)cc2Br)S1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UAOZMACRYMQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2S/c1-3-8(4-2)12-7-18-14(20-12)19-13-10(15)5-9(17)6-11(13)16/h5-6,8,12H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 379.73 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).