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

C21H18N6S — CID 53257099

IUPAC6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1nc(CN(C)c2ncnc3ccc(-c4ccc5[nH]ncc5c4)cc23)cs1
InChIInChI=1S/C21H18N6S/c1-13-25-17(11-28-13)10-27(2)21-18-8-15(4-6-20(18)22-12-23-21)14-3-5-19-16(7-14)9-24-26-19/h3-9,11-12H,10H2,1-2H3,(H,24,26)
InChIKeyHKVWVGXFWMICGA-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.57
Rot. Bonds4

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

6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 53257099) has the molecular formula C21H18N6S and a molecular weight of 386.48 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
PubChem CID53257099
Molecular FormulaC21H18N6S
Molecular Weight386.48 g/mol
Exact Mass386.13
IUPAC Name6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1nc(CN(C)c2ncnc3ccc(-c4ccc5[nH]ncc5c4)cc23)cs1
InChIInChI=1S/C21H18N6S/c1-13-25-17(11-28-13)10-27(2)21-18-8-15(4-6-20(18)22-12-23-21)14-3-5-19-16(7-14)9-24-26-19/h3-9,11-12H,10H2,1-2H3,(H,24,26)
InChIKeyHKVWVGXFWMICGA-UHFFFAOYSA-N
XLogP4.57
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine (CID 53257099) is 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine is Cc1nc(CN(C)c2ncnc3ccc(-c4ccc5[nH]ncc5c4)cc23)cs1.
What is the InChIKey of 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is HKVWVGXFWMICGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6S/c1-13-25-17(11-28-13)10-27(2)21-18-8-15(4-6-20(18)22-12-23-21)14-3-5-19-16(7-14)9-24-26-19/h3-9,11-12H,10H2,1-2H3,(H,24,26).
What are the key properties of 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine?
6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 386.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 53257099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).