N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine

C15H20N2S2 — CID 79948338

IUPACN-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CSCCC3(C)C)cc2s1
InChIInChI=1S/C15H20N2S2/c1-10-16-12-5-4-11(8-13(12)19-10)17-14-9-18-7-6-15(14,2)3/h4-5,8,14,17H,6-7,9H2,1-3H3
InChIKeyXTQYUZSWVCGAIM-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.55
Rot. Bonds2

About N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine

N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 79948338) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID79948338
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CSCCC3(C)C)cc2s1
InChIInChI=1S/C15H20N2S2/c1-10-16-12-5-4-11(8-13(12)19-10)17-14-9-18-7-6-15(14,2)3/h4-5,8,14,17H,6-7,9H2,1-3H3
InChIKeyXTQYUZSWVCGAIM-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
4,4-dimethyl-N-naphthalen-2-ylthian-3-amine
CID 79951922
N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
CID 64751144
4,4-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]thian-3-amine
CID 79954961
3-[(4,4-dimethylthian-3-yl)amino]benzamide
CID 79952112
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-(3-ethoxy-4-methoxyphenyl)-4,4-dimethylthian-3-amine
CID 79948684
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
CID 65084135
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
4,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thian-3-amine
CID 79948357
2-methyl-6-(sulfinatoamino)-1,3-benzothiazole
CID 20746267

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine (CID 79948338) is N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC3CSCCC3(C)C)cc2s1.
What is the InChIKey of N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is XTQYUZSWVCGAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-10-16-12-5-4-11(8-13(12)19-10)17-14-9-18-7-6-15(14,2)3/h4-5,8,14,17H,6-7,9H2,1-3H3.
What are the key properties of N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine?
N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 292.47 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 79948338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).