N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine

C24H26N4S2 — CID 139227760

IUPACN-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2ccc(-c3ccc(-c4csc(NCCC)n4)cc3)cc2)cs1
InChIInChI=1S/C24H26N4S2/c1-3-13-25-23-27-21(15-29-23)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-16-30-24(28-22)26-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMBTJIBYBCUHUEO-UHFFFAOYSA-N
MW434.63 g/mol
LogP7.24
Rot. Bonds9

About N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine

N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 139227760) has the molecular formula C24H26N4S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine
PubChem CID139227760
Molecular FormulaC24H26N4S2
Molecular Weight434.63 g/mol
Exact Mass434.16
IUPAC NameN-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2ccc(-c3ccc(-c4csc(NCCC)n4)cc3)cc2)cs1
InChIInChI=1S/C24H26N4S2/c1-3-13-25-23-27-21(15-29-23)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-16-30-24(28-22)26-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMBTJIBYBCUHUEO-UHFFFAOYSA-N
XLogP7.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine (CID 139227760) is N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine is CCCNc1nc(-c2ccc(-c3ccc(-c4csc(NCCC)n4)cc3)cc2)cs1.
What is the InChIKey of N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is MBTJIBYBCUHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4S2/c1-3-13-25-23-27-21(15-29-23)19-9-5-17(6-10-19)18-7-11-20(12-8-18)22-16-30-24(28-22)26-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine?
N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 434.63 g/mol, XLogP of 7.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[4-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139227760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).