N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine

C21H17FN4S2 — CID 16612140

IUPACN-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine
SMILESFc1ccc(-c2nc(CSc3nc(NC4CC4)c4ccccc4n3)cs2)cc1
InChIInChI=1S/C21H17FN4S2/c22-14-7-5-13(6-8-14)20-24-16(11-27-20)12-28-21-25-18-4-2-1-3-17(18)19(26-21)23-15-9-10-15/h1-8,11,15H,9-10,12H2,(H,23,25,26)
InChIKeyYWVZXAJUJABXJM-UHFFFAOYSA-N
MW408.53 g/mol
LogP5.76
Rot. Bonds6

About N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine

N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine (PubChem CID 16612140) has the molecular formula C21H17FN4S2 and a molecular weight of 408.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine
PubChem CID16612140
Molecular FormulaC21H17FN4S2
Molecular Weight408.53 g/mol
Exact Mass408.09
IUPAC NameN-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine
SMILESFc1ccc(-c2nc(CSc3nc(NC4CC4)c4ccccc4n3)cs2)cc1
InChIInChI=1S/C21H17FN4S2/c22-14-7-5-13(6-8-14)20-24-16(11-27-20)12-28-21-25-18-4-2-1-3-17(18)19(26-21)23-15-9-10-15/h1-8,11,15H,9-10,12H2,(H,23,25,26)
InChIKeyYWVZXAJUJABXJM-UHFFFAOYSA-N
XLogP5.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine with MolForge

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Related Compounds

Timegadine
CID 68902
N-[(thiophen-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235425
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
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*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[2,3-d]pyrimidine-2,4-diamine
CID 10361417
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 10406472
2-[[2-(4-Fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 60202339
2-[[2-(3-Fluorophenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 60202363
2-[[5-Ethyl-2-(3-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 60202364
2-[[2-(3-Fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 60202365
2-[[2-(3,5-Difluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 60202623

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine (CID 16612140) is N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine is Fc1ccc(-c2nc(CSc3nc(NC4CC4)c4ccccc4n3)cs2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine?
The InChIKey is YWVZXAJUJABXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4S2/c22-14-7-5-13(6-8-14)20-24-16(11-27-20)12-28-21-25-18-4-2-1-3-17(18)19(26-21)23-15-9-10-15/h1-8,11,15H,9-10,12H2,(H,23,25,26).
What are the key properties of N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine?
N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine has a molecular weight of 408.53 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-amine is sourced from PubChem (CID 16612140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).