N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

C9H14N2S — CID 3249913

IUPACN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESCNCc1nc2c(s1)CCCC2
InChIInChI=1S/C9H14N2S/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h10H,2-6H2,1H3
InChIKeyCBIDDNFHMBPUTJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.74
Rot. Bonds2

About N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine

N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (PubChem CID 3249913) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
PubChem CID3249913
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
SMILESCNCc1nc2c(s1)CCCC2
InChIInChI=1S/C9H14N2S/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h10H,2-6H2,1H3
InChIKeyCBIDDNFHMBPUTJ-UHFFFAOYSA-N
XLogP1.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Etrabamine
CID 68895
(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CID 17749983
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
Manozodil
CID 72110
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride (1:?)
CID 198580
4-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride (1:?)
CID 3059954
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride
CID 3059958
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-diethyl-, hydrochloride
CID 3059962
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059966
1-(2-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-N-methylmethanamine--hydrogen chloride (1/1)
CID 3059968
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-2-(1-methylethyl)-, hydrochloride
CID 3059970
1-(2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 3059974

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (CID 3249913) is N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is CNCc1nc2c(s1)CCCC2.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
The InChIKey is CBIDDNFHMBPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h10H,2-6H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine is sourced from PubChem (CID 3249913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).