2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane

C18H20N2S3 — CID 139072104

IUPAC2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane
SMILESc1csc(CN2CCCN(Cc3cccs3)C2c2cccs2)c1
InChIInChI=1S/C18H20N2S3/c1-5-15(21-10-1)13-19-8-4-9-20(14-16-6-2-11-22-16)18(19)17-7-3-12-23-17/h1-3,5-7,10-12,18H,4,8-9,13-14H2
InChIKeyYLPWOGQDCDYCCL-UHFFFAOYSA-N
MW360.57 g/mol
LogP5.28
Rot. Bonds5

About 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane

2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane (PubChem CID 139072104) has the molecular formula C18H20N2S3 and a molecular weight of 360.57 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane
PubChem CID139072104
Molecular FormulaC18H20N2S3
Molecular Weight360.57 g/mol
Exact Mass360.08
IUPAC Name2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane
SMILESc1csc(CN2CCCN(Cc3cccs3)C2c2cccs2)c1
InChIInChI=1S/C18H20N2S3/c1-5-15(21-10-1)13-19-8-4-9-20(14-16-6-2-11-22-16)18(19)17-7-3-12-23-17/h1-3,5-7,10-12,18H,4,8-9,13-14H2
InChIKeyYLPWOGQDCDYCCL-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.57
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-(2-Thienyl)-3-(2-thienylmethyl)imidazolidinyl]methyl}thiophene
CID 566392
3,5-Di(2-thienylmethyl)-1,3,5-thiadiazinane-2-thione
CID 334846
[ethyl(thiophen-2-ylmethyl)carbamothioyl]sulfanyl N-ethyl-N-(thiophen-2-ylmethyl)carbamodithioate
CID 168679325
1,3-Bis(thiophen-2-ylmethyl)-1,3-diazinane-5-carbonitrile
CID 2806057
N,N,N',N'-tetra(2-thenyl)thiuram disulfide
CID 129796524
2,7-Dithiophen-2-yl-1,3,6,8-tetrazatricyclo[6.2.2.23,6]tetradecane
CID 357974
1-N,4-N-bis(thiophen-2-ylmethyl)piperazine-1,4-dicarbothioamide
CID 9114935
1(2H)-Pyrazinecarbothioamide, tetrahydro-4-[2-(2-thienyl)ethyl]-N-(2-thienylmethyl)-
CID 16763123
1,3,5-Tris(2-thiophen-2-ylethyl)-1,3,5-triazinane-2,4,6-trione
CID 10095747
1,3,5-Tris(2-(thiophen-2-yl)ethyl)-1,3,5-triazinane
CID 14211124
Thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione;hydrochloride
CID 20508985
Thiophen-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanethione
CID 20508986

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane?
The IUPAC name of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane (CID 139072104) is 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane.
What is the SMILES notation for 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane?
The canonical SMILES for 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane is c1csc(CN2CCCN(Cc3cccs3)C2c2cccs2)c1.
What is the InChIKey of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane?
The InChIKey is YLPWOGQDCDYCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S3/c1-5-15(21-10-1)13-19-8-4-9-20(14-16-6-2-11-22-16)18(19)17-7-3-12-23-17/h1-3,5-7,10-12,18H,4,8-9,13-14H2.
What are the key properties of 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane?
2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane has a molecular weight of 360.57 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-bis(thiophen-2-ylmethyl)-1,3-diazinane is sourced from PubChem (CID 139072104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).