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

C14H18N2S2 — CID 55032324

IUPACN-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3sccc3C)sc21
InChIInChI=1S/C14H18N2S2/c1-3-15-10-5-4-6-11-13(10)18-14(16-11)12-9(2)7-8-17-12/h7-8,10,15H,3-6H2,1-2H3
InChIKeyRQUXYOXNRFUCIC-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.17
Rot. Bonds3

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

N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 55032324) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID55032324
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3sccc3C)sc21
InChIInChI=1S/C14H18N2S2/c1-3-15-10-5-4-6-11-13(10)18-14(16-11)12-9(2)7-8-17-12/h7-8,10,15H,3-6H2,1-2H3
InChIKeyRQUXYOXNRFUCIC-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 55032324) is N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3sccc3C)sc21.
What is the InChIKey of N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is RQUXYOXNRFUCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-3-15-10-5-4-6-11-13(10)18-14(16-11)12-9(2)7-8-17-12/h7-8,10,15H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 278.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 55032324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).