5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine

C17H16F2N4S — CID 90463929

IUPAC5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine
SMILESC=C=C(Nc1ncc(F)s1)N1CC2(CCNC2)c2cc(F)ccc21
InChIInChI=1S/C17H16F2N4S/c1-2-15(22-16-21-8-14(19)24-16)23-10-17(5-6-20-9-17)12-7-11(18)3-4-13(12)23/h3-4,7-8,20H,1,5-6,9-10H2,(H,21,22)
InChIKeyTVCOXFNLLXSLOB-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.21
Rot. Bonds3

About 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine

5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine (PubChem CID 90463929) has the molecular formula C17H16F2N4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine
PubChem CID90463929
Molecular FormulaC17H16F2N4S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine
SMILESC=C=C(Nc1ncc(F)s1)N1CC2(CCNC2)c2cc(F)ccc21
InChIInChI=1S/C17H16F2N4S/c1-2-15(22-16-21-8-14(19)24-16)23-10-17(5-6-20-9-17)12-7-11(18)3-4-13(12)23/h3-4,7-8,20H,1,5-6,9-10H2,(H,21,22)
InChIKeyTVCOXFNLLXSLOB-UHFFFAOYSA-N
XLogP3.21
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657337
2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbothioamide
CID 2100715
N-(2-(aminomethyl)-5-fluorophenyl)thiazol-2-amine
CID 21069987
5-fluoro-N,N-dimethyl-1'-[[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433370
5-fluoro-N,N-dimethyl-1'-[[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59433457
5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 59598866
2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole
CID 68826839
1'-acetyl-5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 71543407
Methyl 5-fluoro-1-((5-fluorothiazol-2-yl)carbamoyl)spiro[indoline-3,3'-pyrrolidine]-1'-carboxylate
CID 90449246
(3R)-1'-acetyl-5-chloro-N-(5-fluoro-1,3-thiazol-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449272
(3S)-1'-acetyl-5-bromo-N-(5-fluoro-1,3-thiazol-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449346
N-(5-chloro-1,3-thiazol-2-yl)-5-fluoro-1'-formylspiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449354

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine (CID 90463929) is 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine is C=C=C(Nc1ncc(F)s1)N1CC2(CCNC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine?
The InChIKey is TVCOXFNLLXSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4S/c1-2-15(22-16-21-8-14(19)24-16)23-10-17(5-6-20-9-17)12-7-11(18)3-4-13(12)23/h3-4,7-8,20H,1,5-6,9-10H2,(H,21,22).
What are the key properties of 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine?
5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine has a molecular weight of 346.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(5-fluorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)propa-1,2-dienyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90463929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).