N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine

C24H22ClN5O2S — CID 147999157

IUPACN-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
SMILESCC1(C)COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C24H22ClN5O2S/c1-24(2)13-32-21(30-24)10-15-3-5-19-17(9-15)23(28-14-27-19)29-16-4-6-20(18(25)11-16)31-12-22-26-7-8-33-22/h3-9,11,14H,10,12-13H2,1-2H3,(H,27,28,29)
InChIKeyIWOZNWNGEWZBIO-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.81
Rot. Bonds7

About N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine

N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine (PubChem CID 147999157) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
PubChem CID147999157
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC NameN-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine
SMILESCC1(C)COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C24H22ClN5O2S/c1-24(2)13-32-21(30-24)10-15-3-5-19-17(9-15)23(28-14-27-19)29-16-4-6-20(18(25)11-16)31-12-22-26-7-8-33-22/h3-9,11,14H,10,12-13H2,1-2H3,(H,27,28,29)
InChIKeyIWOZNWNGEWZBIO-UHFFFAOYSA-N
XLogP5.81
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine (CID 147999157) is N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine is CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.
What is the InChIKey of N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
The InChIKey is IWOZNWNGEWZBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c1-24(2)13-32-21(30-24)10-15-3-5-19-17(9-15)23(28-14-27-19)29-16-4-6-20(18(25)11-16)31-12-22-26-7-8-33-22/h3-9,11,14H,10,12-13H2,1-2H3,(H,27,28,29).
What are the key properties of N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine?
N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine has a molecular weight of 479.99 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 147999157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).