3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine

C13H15ClN2S — CID 20507165

IUPAC3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
SMILESCc1c(Cl)cccc1C1CN=C2SCCCN21
InChIInChI=1S/C13H15ClN2S/c1-9-10(4-2-5-11(9)14)12-8-15-13-16(12)6-3-7-17-13/h2,4-5,12H,3,6-8H2,1H3
InChIKeyNFHARTTVOPOFNP-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.50
Rot. Bonds1

About 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine

3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine (PubChem CID 20507165) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
PubChem CID20507165
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
SMILESCc1c(Cl)cccc1C1CN=C2SCCCN21
InChIInChI=1S/C13H15ClN2S/c1-9-10(4-2-5-11(9)14)12-8-15-13-16(12)6-3-7-17-13/h2,4-5,12H,3,6-8H2,1H3
InChIKeyNFHARTTVOPOFNP-UHFFFAOYSA-N
XLogP3.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine with MolForge

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Related Compounds

3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
CID 20507153
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
5-(3-chloro-2-fluorophenyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 114489420
1-chloro-3-cyclohexyl-2-methylbenzene;4-(3-chloro-2-methylphenyl)piperidine;hydrochloride
CID 163597059
4-(2,3-dichlorophenyl)-2-methyl-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]pyrimidine
CID 141038909
4-(3-chloro-2-methylphenyl)-1-prop-2-enylpiperidine
CID 11507069
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
2-(2,3-dichlorophenyl)-1-methoxypiperidine
CID 118879007
1-(cyclopropylmethyl)-5-(2,3-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521672
2-[3,5-dibenzoyl-4-(3-chloro-2-methylphenyl)piperidin-1-yl]-N,N-dimethylacetamide
CID 16725650
ethyl 6-(3-aminophenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 4633095
[(3R,5R)-5-benzoyl-4-(3-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]-phenylmethanone
CID 87729558

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine (CID 20507165) is 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine is Cc1c(Cl)cccc1C1CN=C2SCCCN21.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
The InChIKey is NFHARTTVOPOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9-10(4-2-5-11(9)14)12-8-15-13-16(12)6-3-7-17-13/h2,4-5,12H,3,6-8H2,1H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine has a molecular weight of 266.80 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine is sourced from PubChem (CID 20507165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).