4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide

C19H21BrN2O2S — CID 44667549

IUPAC4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)ccn1
InChIInChI=1S/C19H20N2O2S.BrH/c1-4-5-15-10-14(8-9-20-15)19-21-16(12-24-19)13-6-7-17(22-2)18(11-13)23-3;/h6-12H,4-5H2,1-3H3;1H
InChIKeyNCKPNUPNSZYNJN-UHFFFAOYSA-N
MW421.36 g/mol
LogP5.42
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide

4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (PubChem CID 44667549) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
PubChem CID44667549
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC Name4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide
SMILESBr.CCCc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)ccn1
InChIInChI=1S/C19H20N2O2S.BrH/c1-4-5-15-10-14(8-9-20-15)19-21-16(12-24-19)13-6-7-17(22-2)18(11-13)23-3;/h6-12H,4-5H2,1-3H3;1H
InChIKeyNCKPNUPNSZYNJN-UHFFFAOYSA-N
XLogP5.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide (CID 44667549) is 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is Br.CCCc1cc(-c2nc(-c3ccc(OC)c(OC)c3)cs2)ccn1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
The InChIKey is NCKPNUPNSZYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S.BrH/c1-4-5-15-10-14(8-9-20-15)19-21-16(12-24-19)13-6-7-17(22-2)18(11-13)23-3;/h6-12H,4-5H2,1-3H3;1H.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide?
4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide has a molecular weight of 421.36 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 44667549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).