4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine

C8H12N2S — CID 3469612

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
SMILESNCc1nc2c(s1)CCCC2
InChIInChI=1S/C8H12N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-5,9H2
InChIKeyMVXOUEFCXDHEAR-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.48
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine

4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine (PubChem CID 3469612) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
PubChem CID3469612
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
SMILESNCc1nc2c(s1)CCCC2
InChIInChI=1S/C8H12N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-5,9H2
InChIKeyMVXOUEFCXDHEAR-UHFFFAOYSA-N
XLogP1.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 83390528
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
CID 62646241
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
(5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine
CID 83847715
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 143174269
2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884791
ethyl 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetate
CID 28942100
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine (CID 3469612) is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine is NCc1nc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine?
The InChIKey is MVXOUEFCXDHEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-5,9H2.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine?
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine has a molecular weight of 168.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine is sourced from PubChem (CID 3469612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).