5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine

C25H26N6S — CID 161012942

IUPAC5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine
SMILESCc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C25H26N6S/c1-17-22(31-16-18(8-4-3-7-13-26)11-12-20(31)29-17)25-30-21(19-9-5-2-6-10-19)23(32-25)24-27-14-15-28-24/h2,5-6,9-12,14-16H,3-4,7-8,13,26H2,1H3,(H,27,28)
InChIKeyBFFWSPWDIWHYPQ-UHFFFAOYSA-N
MW442.59 g/mol
LogP5.49
Rot. Bonds8

About 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine

5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine (PubChem CID 161012942) has the molecular formula C25H26N6S and a molecular weight of 442.59 g/mol. Its IUPAC name is 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine
PubChem CID161012942
Molecular FormulaC25H26N6S
Molecular Weight442.59 g/mol
Exact Mass442.19
IUPAC Name5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine
SMILESCc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C25H26N6S/c1-17-22(31-16-18(8-4-3-7-13-26)11-12-20(31)29-17)25-30-21(19-9-5-2-6-10-19)23(32-25)24-27-14-15-28-24/h2,5-6,9-12,14-16H,3-4,7-8,13,26H2,1H3,(H,27,28)
InChIKeyBFFWSPWDIWHYPQ-UHFFFAOYSA-N
XLogP5.49
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine?
The IUPAC name of 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine (CID 161012942) is 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine?
The canonical SMILES for 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine is Cc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine?
The InChIKey is BFFWSPWDIWHYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6S/c1-17-22(31-16-18(8-4-3-7-13-26)11-12-20(31)29-17)25-30-21(19-9-5-2-6-10-19)23(32-25)24-27-14-15-28-24/h2,5-6,9-12,14-16H,3-4,7-8,13,26H2,1H3,(H,27,28).
What are the key properties of 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine?
5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine has a molecular weight of 442.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridin-6-yl]pentan-1-amine is sourced from PubChem (CID 161012942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).