N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

C12H16N2OS2 — CID 62535066

IUPACN-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCOCC(C)Nc1ccc2nc(SC)sc2c1
InChIInChI=1S/C12H16N2OS2/c1-8(7-15-2)13-9-4-5-10-11(6-9)17-12(14-10)16-3/h4-6,8,13H,7H2,1-3H3
InChIKeyBGVJTCQAEFPXRE-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.46
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 62535066) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID62535066
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCOCC(C)Nc1ccc2nc(SC)sc2c1
InChIInChI=1S/C12H16N2OS2/c1-8(7-15-2)13-9-4-5-10-11(6-9)17-12(14-10)16-3/h4-6,8,13H,7H2,1-3H3
InChIKeyBGVJTCQAEFPXRE-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682794
2-methylsulfanyl-N-octan-2-yl-1,3-benzothiazol-6-amine
CID 63426863
N-(2,2-dimethoxyethyl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55233662
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-6-amine
CID 43682798
1-(2-methoxyethyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 45497112
3-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 43682811
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
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
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
3-chloro-2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propane-1-sulfonamide
CID 79585484
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 62535066) is N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is COCC(C)Nc1ccc2nc(SC)sc2c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is BGVJTCQAEFPXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8(7-15-2)13-9-4-5-10-11(6-9)17-12(14-10)16-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 268.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 62535066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).