methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate

C10H10ClNO2S — CID 6623372

IUPACmethyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCn1c(C(=O)OC)cc2sc(Cl)cc21
InChIInChI=1S/C10H10ClNO2S/c1-3-12-6-5-9(11)15-8(6)4-7(12)10(13)14-2/h4-5H,3H2,1-2H3
InChIKeyIAMFLNLGEWONCS-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.16
Rot. Bonds2

About methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate

methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 6623372) has the molecular formula C10H10ClNO2S and a molecular weight of 243.71 g/mol. Its IUPAC name is methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate
PubChem CID6623372
Molecular FormulaC10H10ClNO2S
Molecular Weight243.71 g/mol
Exact Mass243.01
IUPAC Namemethyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate
SMILESCCn1c(C(=O)OC)cc2sc(Cl)cc21
InChIInChI=1S/C10H10ClNO2S/c1-3-12-6-5-9(11)15-8(6)4-7(12)10(13)14-2/h4-5H,3H2,1-2H3
InChIKeyIAMFLNLGEWONCS-UHFFFAOYSA-N
XLogP3.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate (CID 6623372) is methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate is CCn1c(C(=O)OC)cc2sc(Cl)cc21.
What is the InChIKey of methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is IAMFLNLGEWONCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c1-3-12-6-5-9(11)15-8(6)4-7(12)10(13)14-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 243.71 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-ethylthieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6623372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).