2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

C16H14N4S — CID 11150562

IUPAC2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C16H14N4S/c1-10-18-13-8-7-11-9-17-16(20-14(11)15(13)21-10)19-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,19,20)
InChIKeyXGCZPWOZBDACQN-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.75
Rot. Bonds2

About 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine

2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (PubChem CID 11150562) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound Name2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
PubChem CID11150562
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine
SMILESCc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C16H14N4S/c1-10-18-13-8-7-11-9-17-16(20-14(11)15(13)21-10)19-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,19,20)
InChIKeyXGCZPWOZBDACQN-UHFFFAOYSA-N
XLogP3.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The IUPAC name of 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine (CID 11150562) is 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The canonical SMILES for 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is Cc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2.
What is the InChIKey of 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
The InChIKey is XGCZPWOZBDACQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-10-18-13-8-7-11-9-17-16(20-14(11)15(13)21-10)19-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,17,19,20).
What are the key properties of 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine?
2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine has a molecular weight of 294.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 11150562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).