N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine

C16H17N5S2 — CID 146079972

IUPACN-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCSc1ccc2nc(N(C)C3CN(c4cnccn4)C3)sc2c1
InChIInChI=1S/C16H17N5S2/c1-20(11-9-21(10-11)15-8-17-5-6-18-15)16-19-13-4-3-12(22-2)7-14(13)23-16/h3-8,11H,9-10H2,1-2H3
InChIKeyQMRFXMAWVFDTHW-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine

N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 146079972) has the molecular formula C16H17N5S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine
PubChem CID146079972
Molecular FormulaC16H17N5S2
Molecular Weight343.48 g/mol
Exact Mass343.09
IUPAC NameN-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCSc1ccc2nc(N(C)C3CN(c4cnccn4)C3)sc2c1
InChIInChI=1S/C16H17N5S2/c1-20(11-9-21(10-11)15-8-17-5-6-18-15)16-19-13-4-3-12(22-2)7-14(13)23-16/h3-8,11H,9-10H2,1-2H3
InChIKeyQMRFXMAWVFDTHW-UHFFFAOYSA-N
XLogP3.13
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzoxazol-2-amine
CID 146078866
6-fluoro-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-1,3-benzothiazol-2-amine
CID 171334947
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylsulfanyl-1,3-benzothiazole
CID 171327048
6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 172900824
N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
CID 130399393
2-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172893504
N,2,6-trimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyridin-4-amine
CID 166304823
N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide;hydrochloride
CID 44947217
2-(3,5-dimethylpiperazin-1-yl)pyrazine
CID 62585562
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44947274
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
(3aR,5R,6R,7aS)-2-(4-methyl-7-methylsulfanylquinolin-2-yl)-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 175645833

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine (CID 146079972) is N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine is CSc1ccc2nc(N(C)C3CN(c4cnccn4)C3)sc2c1.
What is the InChIKey of N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is QMRFXMAWVFDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S2/c1-20(11-9-21(10-11)15-8-17-5-6-18-15)16-19-13-4-3-12(22-2)7-14(13)23-16/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine?
N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 343.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanyl-N-(1-pyrazin-2-ylazetidin-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146079972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).