N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine

C23H18N4S — CID 25164678

IUPACN-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H18N4S/c1-3-7-16(8-4-1)14-24-23-26-21(22(28-23)17-9-5-2-6-10-17)18-11-12-20-19(13-18)15-25-27-20/h1-13,15H,14H2,(H,24,26)(H,25,27)
InChIKeyYJSIMMVEIYLSHC-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.97
Rot. Bonds5

About N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine

N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 25164678) has the molecular formula C23H18N4S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID25164678
Molecular FormulaC23H18N4S
Molecular Weight382.49 g/mol
Exact Mass382.13
IUPAC NameN-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H18N4S/c1-3-7-16(8-4-1)14-24-23-26-21(22(28-23)17-9-5-2-6-10-17)18-11-12-20-19(13-18)15-25-27-20/h1-13,15H,14H2,(H,24,26)(H,25,27)
InChIKeyYJSIMMVEIYLSHC-UHFFFAOYSA-N
XLogP5.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine (CID 25164678) is N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine is c1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is YJSIMMVEIYLSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4S/c1-3-7-16(8-4-1)14-24-23-26-21(22(28-23)17-9-5-2-6-10-17)18-11-12-20-19(13-18)15-25-27-20/h1-13,15H,14H2,(H,24,26)(H,25,27).
What are the key properties of N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine?
N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 382.49 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1H-indazol-5-yl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 25164678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).