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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Related Compounds

6-Chloro-7-[5,6-Dimethyl-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 46898103
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine
CID 132274773
Benzyl-(6-chloro-2-imidazol-1-yl-quinazolin-4-yl)-amine; dihydrochloride
CID 9819114
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
N-benzyl-6-chloro-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
CID 19392248
4-(5-(4-chlorophenyl)thiophen-2-yl)-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 49786171
5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52941436
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942728
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-ethylthiazol-2-amine
CID 52943899

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).