N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C9H14N2S — CID 62943290

IUPACN,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C9H14N2S/c1-6-3-4-7-8(5-6)12-9(10-2)11-7/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyDRTSTFCUQXKGRM-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.31
Rot. Bonds1

About N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 62943290) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID62943290
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(s1)CC(C)CC2
InChIInChI=1S/C9H14N2S/c1-6-3-4-7-8(5-6)12-9(10-2)11-7/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyDRTSTFCUQXKGRM-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 130557486
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide
CID 22201662
N-methyl-6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62941430
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119271144
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 5173800
5-bromo-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 22201655
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 136530579
1-acetyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246357
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 62943290) is N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CNc1nc2c(s1)CC(C)CC2.
What is the InChIKey of N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is DRTSTFCUQXKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6-3-4-7-8(5-6)12-9(10-2)11-7/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 62943290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).