tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate

C18H25N3O2S — CID 118462132

IUPACtert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate
SMILESCCN1CCc2c(sc(-n3cccc3)c2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25N3O2S/c1-5-20-11-8-13-14(12-20)24-16(21-9-6-7-10-21)15(13)19-17(22)23-18(2,3)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,22)
InChIKeyCDTGZAOMPMJIGE-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate

tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate (PubChem CID 118462132) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate
PubChem CID118462132
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Nametert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate
SMILESCCN1CCc2c(sc(-n3cccc3)c2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25N3O2S/c1-5-20-11-8-13-14(12-20)24-16(21-9-6-7-10-21)15(13)19-17(22)23-18(2,3)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,22)
InChIKeyCDTGZAOMPMJIGE-UHFFFAOYSA-N
XLogP4.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate with MolForge

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Related Compounds

ethyl 6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 118462286
tert-butyl 2-[2-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propan-2-ylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 126577200
tert-butyl N-[4-[[2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]butyl]carbamate
CID 126577133
(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanol
CID 118462285
tert-butyl N-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
CID 118318290
tert-butyl N-[6-ethyl-3-(1,3,4-oxadiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamate
CID 118318293
methyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]benzoate
CID 20907828
1-[1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)ethyl]-3-(4-fluorophenyl)urea
CID 20885637
1-(3,5-dimethylphenyl)-3-[(1R)-1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propyl]urea
CID 92689188
1-(2,3-dimethylphenyl)-3-[(1S)-1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)propyl]urea
CID 92689185
ethyl 3-[[(1R)-1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)ethyl]carbamoylamino]benzoate
CID 92689207
ethyl 3-[1-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)ethylcarbamoylamino]benzoate
CID 20907808

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate (CID 118462132) is tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate is CCN1CCc2c(sc(-n3cccc3)c2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate?
The InChIKey is CDTGZAOMPMJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-5-20-11-8-13-14(12-20)24-16(21-9-6-7-10-21)15(13)19-17(22)23-18(2,3)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate?
tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate has a molecular weight of 347.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)carbamate is sourced from PubChem (CID 118462132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).