N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C16H27N3S2 — CID 106445601

IUPACN-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(C3CSCCN3C)sc21
InChIInChI=1S/C16H27N3S2/c1-5-17-11-8-16(2,3)9-12-14(11)21-15(18-12)13-10-20-7-6-19(13)4/h11,13,17H,5-10H2,1-4H3
InChIKeyXEZYHRTZYKCDPX-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.49
Rot. Bonds3

About N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 106445601) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID106445601
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC NameN-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(C3CSCCN3C)sc21
InChIInChI=1S/C16H27N3S2/c1-5-17-11-8-16(2,3)9-12-14(11)21-15(18-12)13-10-20-7-6-19(13)4/h11,13,17H,5-10H2,1-4H3
InChIKeyXEZYHRTZYKCDPX-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 65398906
N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749694
2-butyl-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79411678
N,5,5-trimethyl-2-(1,4-oxathian-2-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 79969937
2-(4,5-dibromofuran-2-yl)-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 63447008
5,5-dimethyl-2-(oxolan-3-yl)-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62312573
2-(3-ethyl-1,4-dithian-2-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 115388344
5,5-dimethyl-2-morpholin-4-yl-N-propyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62749868
N,5,5-trimethyl-2-(oxan-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62387018
N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106445877
methyl 4-methyl-2-(4-methylthiomorpholin-3-yl)-1,3-thiazole-5-carboxylate
CID 103595057
2-(azepan-1-yl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62751071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 106445601) is N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCNC1CC(C)(C)Cc2nc(C3CSCCN3C)sc21.
What is the InChIKey of N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is XEZYHRTZYKCDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-5-17-11-8-16(2,3)9-12-14(11)21-15(18-12)13-10-20-7-6-19(13)4/h11,13,17H,5-10H2,1-4H3.
What are the key properties of N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 325.55 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-2-(4-methylthiomorpholin-3-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 106445601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).