2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride

C19H23ClFN5O2S — CID 67568299

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCc1ncsc1CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2.Cl
InChIInChI=1S/C19H22FN5O2S.ClH/c1-12-15(28-11-22-12)5-10-27-18(26)25-8-6-19(7-9-25)23-14-4-2-3-13(20)16(14)17(21)24-19;/h2-4,11,23H,5-10H2,1H3,(H2,21,24);1H
InChIKeyYLDHXCWHPQJIIC-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride

2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride (PubChem CID 67568299) has the molecular formula C19H23ClFN5O2S and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
PubChem CID67568299
Molecular FormulaC19H23ClFN5O2S
Molecular Weight439.94 g/mol
Exact Mass439.12
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCc1ncsc1CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2.Cl
InChIInChI=1S/C19H22FN5O2S.ClH/c1-12-15(28-11-22-12)5-10-27-18(26)25-8-6-19(7-9-25)23-14-4-2-3-13(20)16(14)17(21)24-19;/h2-4,11,23H,5-10H2,1H3,(H2,21,24);1H
InChIKeyYLDHXCWHPQJIIC-UHFFFAOYSA-N
XLogP3.31
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569240
3-methylsulfonylpropyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192853
but-3-ynyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192779
cyclopentyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 139816082
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 54165508
S-ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioate;hydrochloride
CID 142634783
ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67568850
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
4-chlorobutyl 4'-amino-5'-fluoro-1'-methylspiro[piperidine-4,2'-quinazoline]-1-carboxylate;hydrochloride
CID 67569881
5-fluoro-1'-(thiophen-2-yliminomethyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 70233685
4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 135845139
phenyl 4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192752

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride (CID 67568299) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride is Cc1ncsc1CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2.Cl.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
The InChIKey is YLDHXCWHPQJIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S.ClH/c1-12-15(28-11-22-12)5-10-27-18(26)25-8-6-19(7-9-25)23-14-4-2-3-13(20)16(14)17(21)24-19;/h2-4,11,23H,5-10H2,1H3,(H2,21,24);1H.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride has a molecular weight of 439.94 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride is sourced from PubChem (CID 67568299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).