N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide

C27H25N5OS — CID 58207968

IUPACN-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(C(=O)NCc4ccccc4)cn3c2)s1
InChIInChI=1S/C27H25N5OS/c1-18(2)30-27-29-15-24(34-27)21-13-22(20-11-7-4-8-12-20)25-31-23(17-32(25)16-21)26(33)28-14-19-9-5-3-6-10-19/h3-13,15-18H,14H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyHXPUHLCUVQWNLV-UHFFFAOYSA-N
MW467.60 g/mol
LogP5.88
Rot. Bonds7

About N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 58207968) has the molecular formula C27H25N5OS and a molecular weight of 467.60 g/mol. Its IUPAC name is N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID58207968
Molecular FormulaC27H25N5OS
Molecular Weight467.60 g/mol
Exact Mass467.18
IUPAC NameN-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(C(=O)NCc4ccccc4)cn3c2)s1
InChIInChI=1S/C27H25N5OS/c1-18(2)30-27-29-15-24(34-27)21-13-22(20-11-7-4-8-12-20)25-31-23(17-32(25)16-21)26(33)28-14-19-9-5-3-6-10-19/h3-13,15-18H,14H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyHXPUHLCUVQWNLV-UHFFFAOYSA-N
XLogP5.88
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.60
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 58207968) is N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(C(=O)NCc4ccccc4)cn3c2)s1.
What is the InChIKey of N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HXPUHLCUVQWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5OS/c1-18(2)30-27-29-15-24(34-27)21-13-22(20-11-7-4-8-12-20)25-31-23(17-32(25)16-21)26(33)28-14-19-9-5-3-6-10-19/h3-13,15-18H,14H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-phenyl-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 58207968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).