N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

C15H16N2OS2 — CID 63426862

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCCc1ccc(CNc2ccc3nc(SC)sc3c2)o1
InChIInChI=1S/C15H16N2OS2/c1-3-11-5-6-12(18-11)9-16-10-4-7-13-14(8-10)20-15(17-13)19-2/h4-8,16H,3,9H2,1-2H3
InChIKeyPHICQMWYDILEFC-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.79
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine

N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine (PubChem CID 63426862) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
PubChem CID63426862
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
SMILESCCc1ccc(CNc2ccc3nc(SC)sc3c2)o1
InChIInChI=1S/C15H16N2OS2/c1-3-11-5-6-12(18-11)9-16-10-4-7-13-14(8-10)20-15(17-13)19-2/h4-8,16H,3,9H2,1-2H3
InChIKeyPHICQMWYDILEFC-UHFFFAOYSA-N
XLogP4.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682780
N-[(3,5-dichlorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 60788689
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682750
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43230170
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55024478
2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 107685421
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
N-(2,2-dimethoxyethyl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55233662
4-chloro-2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682810
N-(3-methylbutan-2-yl)-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682794
tert-butyl N-[3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]propyl]carbamate
CID 103821709

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine (CID 63426862) is N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine is CCc1ccc(CNc2ccc3nc(SC)sc3c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
The InChIKey is PHICQMWYDILEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-3-11-5-6-12(18-11)9-16-10-4-7-13-14(8-10)20-15(17-13)19-2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine?
N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine has a molecular weight of 304.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 63426862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).