4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]

C16H16N2OS — CID 59674547

IUPAC4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]
SMILESC1=C(c2nccs2)c2ccccc2OC12CCNCC2
InChIInChI=1S/C16H16N2OS/c1-2-4-14-12(3-1)13(15-18-9-10-20-15)11-16(19-14)5-7-17-8-6-16/h1-4,9-11,17H,5-8H2
InChIKeyRXZFHYPOABBPFO-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.09
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]

4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine] (PubChem CID 59674547) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]
PubChem CID59674547
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]
SMILESC1=C(c2nccs2)c2ccccc2OC12CCNCC2
InChIInChI=1S/C16H16N2OS/c1-2-4-14-12(3-1)13(15-18-9-10-20-15)11-16(19-14)5-7-17-8-6-16/h1-4,9-11,17H,5-8H2
InChIKeyRXZFHYPOABBPFO-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9929728
1-(2-(2-Ethoxyphenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414731
1-(2-(2-Ethoxyphenyl)-1-(thiazol-5-yl)ethyl)piperazine
CID 44414749
1-(methylamino)-3-[5-[3-(1,3-thiazol-2-yl)phenoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155547731
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177642685
N,N'-dimethyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654760
N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177654835
N'-methyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 177655824
N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9907851
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-imine
CID 134867970
(2R)-N-(1,3-thiazol-2-ylmethyl)spiro[chromene-2,3'-piperidine]-1'-carboxamide
CID 164642951
2-[4-[2-(Trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole
CID 69117556

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]?
The IUPAC name of 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine] (CID 59674547) is 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine].
What is the SMILES notation for 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]?
The canonical SMILES for 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine] is C1=C(c2nccs2)c2ccccc2OC12CCNCC2.
What is the InChIKey of 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]?
The InChIKey is RXZFHYPOABBPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-4-14-12(3-1)13(15-18-9-10-20-15)11-16(19-14)5-7-17-8-6-16/h1-4,9-11,17H,5-8H2.
What are the key properties of 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine]?
4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine] has a molecular weight of 284.38 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)spiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 59674547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).