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

C9H15ClN2S — CID 3059954

IUPAC(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride
SMILESCc1nc2c(s1)CCCC2CN.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-6-11-9-7(5-10)3-2-4-8(9)12-6;/h7H,2-5,10H2,1H3;1H
InChIKeyICKJKTIVHABCPG-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.25
Rot. Bonds1

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

(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride (PubChem CID 3059954) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride
PubChem CID3059954
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride
SMILESCc1nc2c(s1)CCCC2CN.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-6-11-9-7(5-10)3-2-4-8(9)12-6;/h7H,2-5,10H2,1H3;1H
InChIKeyICKJKTIVHABCPG-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Manozodil
CID 72110
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride (1:?)
CID 198580
1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-4-yl)methanamine--hydrogen chloride (1/1)
CID 3059950
4-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-methyl-, hydrochloride
CID 3059952
N-Methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 3059956
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-dimethyl-, hydrochloride
CID 3059958
1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-6-yl)methanamine--hydrogen chloride (1/1)
CID 3059960
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N,2-diethyl-, hydrochloride
CID 3059962
6-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-N-propyl-, hydrochloride
CID 3059964
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

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride (CID 3059954) is (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride is Cc1nc2c(s1)CCCC2CN.Cl.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride?
The InChIKey is ICKJKTIVHABCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-6-11-9-7(5-10)3-2-4-8(9)12-6;/h7H,2-5,10H2,1H3;1H.
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride?
(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 3059954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).