1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C15H18N2S2 — CID 79315179

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CN(C)CC2Cc3ccccc3S2)cs1
InChIInChI=1S/C15H18N2S2/c1-11-16-13(10-18-11)8-17(2)9-14-7-12-5-3-4-6-15(12)19-14/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRGVXEPRVVGPZGO-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 79315179) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID79315179
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CN(C)CC2Cc3ccccc3S2)cs1
InChIInChI=1S/C15H18N2S2/c1-11-16-13(10-18-11)8-17(2)9-14-7-12-5-3-4-6-15(12)19-14/h3-6,10,14H,7-9H2,1-2H3
InChIKeyRGVXEPRVVGPZGO-UHFFFAOYSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045174
N-[(3-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 79319960
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 79221909
1-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 79389543
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine
CID 79319379
1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 114952497
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 62609444
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methoxy-N-methylaniline
CID 79315602
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
4-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-N-methylbenzene-1,4-diamine
CID 79222368
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 79325640
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine
CID 79318825

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 79315179) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CN(C)CC2Cc3ccccc3S2)cs1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is RGVXEPRVVGPZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11-16-13(10-18-11)8-17(2)9-14-7-12-5-3-4-6-15(12)19-14/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 290.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 79315179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).