N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine

C19H21N5O2S — CID 126919633

IUPACN-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine
SMILESCN(C1=NS(=O)(=O)c2ccccc21)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C19H21N5O2S/c1-23(19-15-7-3-5-9-17(15)27(25,26)22-19)14-11-24(12-14)18-10-13-6-2-4-8-16(13)20-21-18/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3
InChIKeyORDRBJWYMGHARG-UHFFFAOYSA-N
MW383.48 g/mol
LogP1.62
Rot. Bonds2

About N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine

N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine (PubChem CID 126919633) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine
PubChem CID126919633
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine
SMILESCN(C1=NS(=O)(=O)c2ccccc21)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C19H21N5O2S/c1-23(19-15-7-3-5-9-17(15)27(25,26)22-19)14-11-24(12-14)18-10-13-6-2-4-8-16(13)20-21-18/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3
InChIKeyORDRBJWYMGHARG-UHFFFAOYSA-N
XLogP1.62
TPSA78.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
6-tert-butyl-N-methyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyridazin-3-amine
CID 126919645
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine
CID 126918903
N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 155798603
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919668
2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]cyclohexan-1-ol
CID 126919873
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylisoquinoline-1-carboxamide
CID 126918796
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 126919190
3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one
CID 126919909
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-amine
CID 126919204
N-methyl-N-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 154829388

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine (CID 126919633) is N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine is CN(C1=NS(=O)(=O)c2ccccc21)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine?
The InChIKey is ORDRBJWYMGHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-23(19-15-7-3-5-9-17(15)27(25,26)22-19)14-11-24(12-14)18-10-13-6-2-4-8-16(13)20-21-18/h3,5,7,9-10,14H,2,4,6,8,11-12H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine?
N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine has a molecular weight of 383.48 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine is sourced from PubChem (CID 126919633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).