2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole

C13H13NS3 — CID 79325640

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H13NS3/c1-9-7-15-13(14-9)16-8-11-6-10-4-2-3-5-12(10)17-11/h2-5,7,11H,6,8H2,1H3
InChIKeyCNZCKZWFSBHWAH-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.26
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole

2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 79325640) has the molecular formula C13H13NS3 and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID79325640
Molecular FormulaC13H13NS3
Molecular Weight279.45 g/mol
Exact Mass279.02
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCC2Cc3ccccc3S2)n1
InChIInChI=1S/C13H13NS3/c1-9-7-15-13(14-9)16-8-11-6-10-4-2-3-5-12(10)17-11/h2-5,7,11H,6,8H2,1H3
InChIKeyCNZCKZWFSBHWAH-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-oxazole
CID 106924341
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)-4-methyl-1,3-thiazole
CID 79325639
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyrimidine
CID 79326097
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-6-methylaniline
CID 79222595
3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazole
CID 79325980
5-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-1-methyl-1,2,4-triazole
CID 104603619
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
4-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)thiophene-2-carboxylic acid
CID 79213280
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(3-methylbutan-2-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 107754265
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
CID 79322428
3-chloro-2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)pyridine
CID 79327324

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole (CID 79325640) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole is Cc1csc(SCC2Cc3ccccc3S2)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is CNZCKZWFSBHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS3/c1-9-7-15-13(14-9)16-8-11-6-10-4-2-3-5-12(10)17-11/h2-5,7,11H,6,8H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 79325640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).