N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide

C25H22N4O3S — CID 91754748

IUPACN-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESNc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1
InChIInChI=1S/C25H22N4O3S/c26-23-12-16(10-11-27-23)14-28-24(30)22-15-29-25(33-22)31-19-7-9-21-18(13-19)6-8-20(32-21)17-4-2-1-3-5-17/h1-5,7,9-13,15,20H,6,8,14H2,(H2,26,27)(H,28,30)
InChIKeyGUPBCVLHFCBCQO-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.91
Rot. Bonds6

About N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide

N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 91754748) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID91754748
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESNc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1
InChIInChI=1S/C25H22N4O3S/c26-23-12-16(10-11-27-23)14-28-24(30)22-15-29-25(33-22)31-19-7-9-21-18(13-19)6-8-20(32-21)17-4-2-1-3-5-17/h1-5,7,9-13,15,20H,6,8,14H2,(H2,26,27)(H,28,30)
InChIKeyGUPBCVLHFCBCQO-UHFFFAOYSA-N
XLogP4.91
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 91754748) is N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is Nc1cc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1.
What is the InChIKey of N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is GUPBCVLHFCBCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c26-23-12-16(10-11-27-23)14-28-24(30)22-15-29-25(33-22)31-19-7-9-21-18(13-19)6-8-20(32-21)17-4-2-1-3-5-17/h1-5,7,9-13,15,20H,6,8,14H2,(H2,26,27)(H,28,30).
What are the key properties of N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-pyridinyl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).