2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine

C16H13ClF2N4OS — CID 171561891

IUPAC2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
SMILESFC1(F)CC1COc1cccc2c(NCc3nccs3)nc(Cl)nc12
InChIInChI=1S/C16H13ClF2N4OS/c17-15-22-13-10(14(23-15)21-7-12-20-4-5-25-12)2-1-3-11(13)24-8-9-6-16(9,18)19/h1-5,9H,6-8H2,(H,21,22,23)
InChIKeyDUTRNWMFWLGHMY-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.39
Rot. Bonds6

About 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine

2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 171561891) has the molecular formula C16H13ClF2N4OS and a molecular weight of 382.82 g/mol. Its IUPAC name is 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
PubChem CID171561891
Molecular FormulaC16H13ClF2N4OS
Molecular Weight382.82 g/mol
Exact Mass382.05
IUPAC Name2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
SMILESFC1(F)CC1COc1cccc2c(NCc3nccs3)nc(Cl)nc12
InChIInChI=1S/C16H13ClF2N4OS/c17-15-22-13-10(14(23-15)21-7-12-20-4-5-25-12)2-1-3-11(13)24-8-9-6-16(9,18)19/h1-5,9H,6-8H2,(H,21,22,23)
InChIKeyDUTRNWMFWLGHMY-UHFFFAOYSA-N
XLogP4.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)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 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (CID 171561891) is 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is FC1(F)CC1COc1cccc2c(NCc3nccs3)nc(Cl)nc12.
What is the InChIKey of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
The InChIKey is DUTRNWMFWLGHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4OS/c17-15-22-13-10(14(23-15)21-7-12-20-4-5-25-12)2-1-3-11(13)24-8-9-6-16(9,18)19/h1-5,9H,6-8H2,(H,21,22,23).
What are the key properties of 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?
2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine has a molecular weight of 382.82 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[(2,2-difluorocyclopropyl)methoxy]-N-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 171561891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).