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

C17H19ClN6S — CID 25179297

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H19ClN6S/c1-23-5-7-24(8-6-23)17-21-14-3-2-12(18)10-13(14)16(22-17)20-11-15-19-4-9-25-15/h2-4,9-10H,5-8,11H2,1H3,(H,20,21,22)
InChIKeyDBMLVCUNAVGNRI-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.10
Rot. Bonds4

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

6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 25179297) 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-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
PubChem CID25179297
Molecular FormulaC17H19ClN6S
Molecular Weight374.90 g/mol
Exact Mass374.11
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C17H19ClN6S/c1-23-5-7-24(8-6-23)17-21-14-3-2-12(18)10-13(14)16(22-17)20-11-15-19-4-9-25-15/h2-4,9-10H,5-8,11H2,1H3,(H,20,21,22)
InChIKeyDBMLVCUNAVGNRI-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-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (CID 25179297) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The InChIKey is DBMLVCUNAVGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6S/c1-23-5-7-24(8-6-23)17-21-14-3-2-12(18)10-13(14)16(22-17)20-11-15-19-4-9-25-15/h2-4,9-10H,5-8,11H2,1H3,(H,20,21,22).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-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-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 25179297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).