6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine

C19H16N6S — CID 123652166

IUPAC6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine
SMILESCc1nc(CNc2cc(-c3ccc4[nH]ncc4c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C19H16N6S/c1-11-23-15(10-26-11)8-20-18-5-13(6-19-16(18)9-22-25-19)12-2-3-17-14(4-12)7-21-24-17/h2-7,9-10,20H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyDRXRLMDNUXXBSW-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.48
Rot. Bonds4

About 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine

6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine (PubChem CID 123652166) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine
PubChem CID123652166
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine
SMILESCc1nc(CNc2cc(-c3ccc4[nH]ncc4c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C19H16N6S/c1-11-23-15(10-26-11)8-20-18-5-13(6-19-16(18)9-22-25-19)12-2-3-17-14(4-12)7-21-24-17/h2-7,9-10,20H,8H2,1H3,(H,21,24)(H,22,25)
InChIKeyDRXRLMDNUXXBSW-UHFFFAOYSA-N
XLogP4.48
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine (CID 123652166) is 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine is Cc1nc(CNc2cc(-c3ccc4[nH]ncc4c3)cc3[nH]ncc23)cs1.
What is the InChIKey of 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine?
The InChIKey is DRXRLMDNUXXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c1-11-23-15(10-26-11)8-20-18-5-13(6-19-16(18)9-22-25-19)12-2-3-17-14(4-12)7-21-24-17/h2-7,9-10,20H,8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine?
6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine has a molecular weight of 360.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 123652166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).