2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C12H14N2S2 — CID 64976032

IUPAC2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1ccc(-c2nc3c(s2)CCCC3N)s1
InChIInChI=1S/C12H14N2S2/c1-7-5-6-10(15-7)12-14-11-8(13)3-2-4-9(11)16-12/h5-6,8H,2-4,13H2,1H3
InChIKeyICRVHEOXCSSGSC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.52
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976032) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976032
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1ccc(-c2nc3c(s2)CCCC3N)s1
InChIInChI=1S/C12H14N2S2/c1-7-5-6-10(15-7)12-14-11-8(13)3-2-4-9(11)16-12/h5-6,8H,2-4,13H2,1H3
InChIKeyICRVHEOXCSSGSC-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976032) is 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Cc1ccc(-c2nc3c(s2)CCCC3N)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ICRVHEOXCSSGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-7-5-6-10(15-7)12-14-11-8(13)3-2-4-9(11)16-12/h5-6,8H,2-4,13H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).