N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

C15H17N3S2 — CID 149152255

IUPACN-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NC3=CC(C)N(C)C=C3)cc2s1
InChIInChI=1S/C15H17N3S2/c1-10-8-12(6-7-18(10)2)16-11-4-5-13-14(9-11)20-15(17-13)19-3/h4-10,16H,1-3H3
InChIKeyNPTSFQOSVOMKTM-UHFFFAOYSA-N
MW303.46 g/mol
LogP4.16
Rot. Bonds3

About N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 149152255) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID149152255
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC NameN-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCSc1nc2ccc(NC3=CC(C)N(C)C=C3)cc2s1
InChIInChI=1S/C15H17N3S2/c1-10-8-12(6-7-18(10)2)16-11-4-5-13-14(9-11)20-15(17-13)19-3/h4-10,16H,1-3H3
InChIKeyNPTSFQOSVOMKTM-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43230170
N-(1-methylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62976149
N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682794
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682750
N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62535066
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55024478
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
1-(4-methoxyphenyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 2381206
N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 62981119
N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 63426862
N-(2,2-dimethoxyethyl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55233662

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 149152255) is N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is CSc1nc2ccc(NC3=CC(C)N(C)C=C3)cc2s1.
What is the InChIKey of N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is NPTSFQOSVOMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-10-8-12(6-7-18(10)2)16-11-4-5-13-14(9-11)20-15(17-13)19-3/h4-10,16H,1-3H3.
What are the key properties of N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 303.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethyl-2H-pyridin-4-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 149152255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).