N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C14H18N2S2 — CID 62089562

IUPACN,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3cccs3)sc21
InChIInChI=1S/C14H18N2S2/c1-14(2)7-9(15-3)12-10(8-14)16-13(18-12)11-5-4-6-17-11/h4-6,9,15H,7-8H2,1-3H3
InChIKeyMHQUHQAVWPWNHO-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.10
Rot. Bonds2

About N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62089562) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62089562
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3cccs3)sc21
InChIInChI=1S/C14H18N2S2/c1-14(2)7-9(15-3)12-10(8-14)16-13(18-12)11-5-4-6-17-11/h4-6,9,15H,7-8H2,1-3H3
InChIKeyMHQUHQAVWPWNHO-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(3-bromothiophen-2-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115381087
2-(5-chlorothiophen-2-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091852
N,5,5-trimethyl-2-pyridin-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 55032902
2-(3-fluorophenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090425
N-methyl-2-thiophen-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079681
2-(4-methoxyphenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090255
2-[(2-bromophenyl)methyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62830365
N,5,5-trimethyl-2-(methylsulfanylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62693627
5,5-dimethyl-2-thiophen-2-yl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032657
2-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115346941
2-(3-bromothiophen-2-yl)-5,5-dimethyl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115381089
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62089562) is N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CNC1CC(C)(C)Cc2nc(-c3cccs3)sc21.
What is the InChIKey of N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is MHQUHQAVWPWNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-14(2)7-9(15-3)12-10(8-14)16-13(18-12)11-5-4-6-17-11/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 278.45 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-thiophen-2-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62089562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).