[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate

C12H13NO2S2 — CID 139785113

IUPAC[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate
SMILESCc1csc(-c2sc(C)c(OC(N)=O)c2C)c1
InChIInChI=1S/C12H13NO2S2/c1-6-4-9(16-5-6)11-7(2)10(8(3)17-11)15-12(13)14/h4-5H,1-3H3,(H2,13,14)
InChIKeySYWVUQGUDIZXHT-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.86
Rot. Bonds2

About [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate

[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate (PubChem CID 139785113) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate.

Molecular Properties

Compound Name[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate
PubChem CID139785113
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate
SMILESCc1csc(-c2sc(C)c(OC(N)=O)c2C)c1
InChIInChI=1S/C12H13NO2S2/c1-6-4-9(16-5-6)11-7(2)10(8(3)17-11)15-12(13)14/h4-5H,1-3H3,(H2,13,14)
InChIKeySYWVUQGUDIZXHT-UHFFFAOYSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate?
The IUPAC name of [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate (CID 139785113) is [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate.
What is the SMILES notation for [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate?
The canonical SMILES for [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate is Cc1csc(-c2sc(C)c(OC(N)=O)c2C)c1.
What is the InChIKey of [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate?
The InChIKey is SYWVUQGUDIZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-6-4-9(16-5-6)11-7(2)10(8(3)17-11)15-12(13)14/h4-5H,1-3H3,(H2,13,14).
What are the key properties of [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate?
[2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate has a molecular weight of 267.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-5-(4-methylthiophen-2-yl)thiophen-3-yl] carbamate is sourced from PubChem (CID 139785113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).