6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine

C17H19ClN6S — CID 25178555

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H19ClN6S/c1-23-4-6-24(7-5-23)17-21-15-3-2-12(18)8-14(15)16(22-17)20-10-13-9-19-11-25-13/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22)
InChIKeyIOTPTXZZXUCFNO-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.10
Rot. Bonds4

About 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine (PubChem CID 25178555) has the molecular formula C17H19ClN6S and a molecular weight of 374.90 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine
PubChem CID25178555
Molecular FormulaC17H19ClN6S
Molecular Weight374.90 g/mol
Exact Mass374.11
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H19ClN6S/c1-23-4-6-24(7-5-23)17-21-15-3-2-12(18)8-14(15)16(22-17)20-10-13-9-19-11-25-13/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22)
InChIKeyIOTPTXZZXUCFNO-UHFFFAOYSA-N
XLogP3.10
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine (CID 25178555) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine is CN1CCN(c2nc(NCc3cncs3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine?
The InChIKey is IOTPTXZZXUCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6S/c1-23-4-6-24(7-5-23)17-21-15-3-2-12(18)8-14(15)16(22-17)20-10-13-9-19-11-25-13/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine has a molecular weight of 374.90 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-5-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 25178555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).