N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

C15H20N2S2 — CID 61347366

IUPACN-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N2S2/c1-3-16-14(13-9-8-10(2)18-13)15-17-11-6-4-5-7-12(11)19-15/h8-9,14,16H,3-7H2,1-2H3
InChIKeyWXKIQKGMWSFYBJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.09
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (PubChem CID 61347366) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
PubChem CID61347366
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC NameN-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H20N2S2/c1-3-16-14(13-9-8-10(2)18-13)15-17-11-6-4-5-7-12(11)19-15/h8-9,14,16H,3-7H2,1-2H3
InChIKeyWXKIQKGMWSFYBJ-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61347365
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61345201
N-[(4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331219
N-[(4-bromophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331218
N-[(4-fluoro-3-methylphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 62122591
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61332193
N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 61332383
N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 79972579
N-[(3-bromo-4-fluorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61331208
N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61346978
N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61346977
N-[(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 65027030

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (CID 61347366) is N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The InChIKey is WXKIQKGMWSFYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-3-16-14(13-9-8-10(2)18-13)15-17-11-6-4-5-7-12(11)19-15/h8-9,14,16H,3-7H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine has a molecular weight of 292.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61347366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).