4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine

C22H24N4OS — CID 24793474

IUPAC4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCn1c(CCNc2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H24N4OS/c1-3-14-26-20-7-5-4-6-18(20)24-21(26)12-13-23-22-25-19(15-28-22)16-8-10-17(27-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyWPHVSPRICHGMTD-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.23
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 24793474) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID24793474
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine
SMILESCCCn1c(CCNc2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21
InChIInChI=1S/C22H24N4OS/c1-3-14-26-20-7-5-4-6-18(20)24-21(26)12-13-23-22-25-19(15-28-22)16-8-10-17(27-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyWPHVSPRICHGMTD-UHFFFAOYSA-N
XLogP5.23
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine (CID 24793474) is 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine is CCCn1c(CCNc2nc(-c3ccc(OC)cc3)cs2)nc2ccccc21.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WPHVSPRICHGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-3-14-26-20-7-5-4-6-18(20)24-21(26)12-13-23-22-25-19(15-28-22)16-8-10-17(27-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 392.53 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24793474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).