N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C15H18N2S2 — CID 106045174

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CCNCC2Cc3ccccc3S2)cs1
InChIInChI=1S/C15H18N2S2/c1-11-17-13(10-18-11)6-7-16-9-14-8-12-4-2-3-5-15(12)19-14/h2-5,10,14,16H,6-9H2,1H3
InChIKeyPNVONXWCBNIPEA-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.30
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 106045174) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID106045174
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CCNCC2Cc3ccccc3S2)cs1
InChIInChI=1S/C15H18N2S2/c1-11-17-13(10-18-11)6-7-16-9-14-8-12-4-2-3-5-15(12)19-14/h2-5,10,14,16H,6-9H2,1H3
InChIKeyPNVONXWCBNIPEA-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79315179
2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106052435
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106372736
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106372033
4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)butanamide
CID 79214063
N-[(2-cyclopropylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103739282
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045670
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 106045174) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CCNCC2Cc3ccccc3S2)cs1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is PNVONXWCBNIPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11-17-13(10-18-11)6-7-16-9-14-8-12-4-2-3-5-15(12)19-14/h2-5,10,14,16H,6-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 290.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 106045174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).