N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine

C12H20N2S — CID 82114962

IUPACN-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C12H20N2S/c1-9(2)13-8-7-12-14-10-5-3-4-6-11(10)15-12/h9,13H,3-8H2,1-2H3
InChIKeyMSNAQKBIDMGRMT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine

N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine (PubChem CID 82114962) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
PubChem CID82114962
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc2c(s1)CCCC2
InChIInChI=1S/C12H20N2S/c1-9(2)13-8-7-12-14-10-5-3-4-6-11(10)15-12/h9,13H,3-8H2,1-2H3
InChIKeyMSNAQKBIDMGRMT-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butan-1-amine
CID 94270126
1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine
CID 167879475
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 83390528
N-(3-methylbutyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388612
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-ethoxypropanamide
CID 119066686
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163305721
2-methyl-3-[methyl-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122008419
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 97231386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine (CID 82114962) is N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine is CC(C)NCCc1nc2c(s1)CCCC2.
What is the InChIKey of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is MSNAQKBIDMGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)13-8-7-12-14-10-5-3-4-6-11(10)15-12/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine?
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82114962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).