N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine

C10H12N2S2 — CID 119083600

IUPACN,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine
SMILESCSc1nc2cc(N(C)C)ccc2s1
InChIInChI=1S/C10H12N2S2/c1-12(2)7-4-5-9-8(6-7)11-10(13-3)14-9/h4-6H,1-3H3
InChIKeyDHPIQLPCKXHCIV-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.08
Rot. Bonds2

About N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine

N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine (PubChem CID 119083600) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine
PubChem CID119083600
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC NameN,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine
SMILESCSc1nc2cc(N(C)C)ccc2s1
InChIInChI=1S/C10H12N2S2/c1-12(2)7-4-5-9-8(6-7)11-10(13-3)14-9/h4-6H,1-3H3
InChIKeyDHPIQLPCKXHCIV-UHFFFAOYSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_P(1)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-methylsulfanyl-1,3-benzothiazole
CID 10655478
2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride
CID 175848519
5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole
CID 142245671
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-(2-methylsulfanyl-1,3-benzothiazol-5-yl)acetic acid
CID 83898511
2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
CID 155931684
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(dimethylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanone
CID 25101072
N,N-dimethyl-1,3-benzothiazol-5-amine
CID 22609017
5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
2-chloro-N,N-dimethylquinolin-7-amine
CID 14140499

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine?
The IUPAC name of N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine (CID 119083600) is N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine?
The canonical SMILES for N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine is CSc1nc2cc(N(C)C)ccc2s1.
What is the InChIKey of N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine?
The InChIKey is DHPIQLPCKXHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-12(2)7-4-5-9-8(6-7)11-10(13-3)14-9/h4-6H,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine?
N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine has a molecular weight of 224.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 119083600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).