N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine

C13H15ClN2S — CID 4846651

IUPACN-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SMILESClc1ccc(/N=C2\SCC3CCCCN23)cc1
InChIInChI=1S/C13H15ClN2S/c14-10-4-6-11(7-5-10)15-13-16-8-2-1-3-12(16)9-17-13/h4-7,12H,1-3,8-9H2/b15-13-
InChIKeyIUHIEDNDUXHRCG-SQFISAMPSA-N
MW266.80 g/mol
LogP3.93
Rot. Bonds1

About N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine

N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine (PubChem CID 4846651) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
PubChem CID4846651
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SMILESClc1ccc(/N=C2\SCC3CCCCN23)cc1
InChIInChI=1S/C13H15ClN2S/c14-10-4-6-11(7-5-10)15-13-16-8-2-1-3-12(16)9-17-13/h4-7,12H,1-3,8-9H2/b15-13-
InChIKeyIUHIEDNDUXHRCG-SQFISAMPSA-N
XLogP3.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorophenyl)imino-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione
CID 13909967
1-(4-Chloro-2-fluorophenyl)imino-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione
CID 76319582
N-(4-chlorophenyl)-3-(1,1-dioxothiolan-3-yl)-1,3-thiazolidin-2-imine
CID 4832915
5-Methyl-2-(N-ethyl-p-chlorophenylamino)-2-thiazoline
CID 620033
N-(4-chlorophenyl)-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]thiadiazol-2-imine
CID 76312914
N-(4-chlorophenyl)-6,7-dihydro-5H-[1,2,4]thiadiazolo[3,2-b][1,3]thiazin-2-imine
CID 76316439
N-(4-chloro-2-fluorophenyl)-3-methyl-4-(trifluoromethyl)-1,3-thiazolidin-2-imine
CID 57311862
N-(4-chlorophenyl)-3-cyclohexyl-1,3-thiazolidin-2-imine
CID 2462978
2-(4-Chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one
CID 139220987
N-(4-chloro-2-fluorophenyl)-6-ethyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazol-3-imine
CID 13649902
N-(4-chloro-3-fluorophenyl)-3-cyclohexyl-4-methyl-1,3-thiazol-2-imine
CID 24023908
N-(4-chloro-3-fluorophenyl)-3-cyclopropyl-4-methyl-1,3-thiazol-2-imine
CID 24071241

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
The IUPAC name of N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine (CID 4846651) is N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine.
What is the SMILES notation for N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
The canonical SMILES for N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine is Clc1ccc(/N=C2\SCC3CCCCN23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
The InChIKey is IUHIEDNDUXHRCG-SQFISAMPSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-10-4-6-11(7-5-10)15-13-16-8-2-1-3-12(16)9-17-13/h4-7,12H,1-3,8-9H2/b15-13-.
What are the key properties of N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine has a molecular weight of 266.80 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine is sourced from PubChem (CID 4846651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).