6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide

C12H17N3O2S — CID 129172315

IUPAC6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide
SMILESCCN1CCc2sc(NC=O)c(C(N)=O)c2CC1
InChIInChI=1S/C12H17N3O2S/c1-2-15-5-3-8-9(4-6-15)18-12(14-7-16)10(8)11(13)17/h7H,2-6H2,1H3,(H2,13,17)(H,14,16)
InChIKeyKPZDLEDNQDJPNH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.84
Rot. Bonds4

About 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide

6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide (PubChem CID 129172315) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide
PubChem CID129172315
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide
SMILESCCN1CCc2sc(NC=O)c(C(N)=O)c2CC1
InChIInChI=1S/C12H17N3O2S/c1-2-15-5-3-8-9(4-6-15)18-12(14-7-16)10(8)11(13)17/h7H,2-6H2,1H3,(H2,13,17)(H,14,16)
InChIKeyKPZDLEDNQDJPNH-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;methanamine
CID 144599906
5-chloro-N-methylpyridin-3-amine;6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 144599989
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethylpiperazine-1-carboxamide
CID 2322555
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261
6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 144599925
7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 139457899
6-ethyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3647152
6-(2-hydroxyethyl)-2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 129172309
2-[[4-(dimethylamino)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3516740
2-[(4-ethoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4161508
2-[[(Z)-3-(2-chlorophenyl)prop-2-enoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950319

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide?
The IUPAC name of 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide (CID 129172315) is 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide.
What is the SMILES notation for 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide?
The canonical SMILES for 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide is CCN1CCc2sc(NC=O)c(C(N)=O)c2CC1.
What is the InChIKey of 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide?
The InChIKey is KPZDLEDNQDJPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-15-5-3-8-9(4-6-15)18-12(14-7-16)10(8)11(13)17/h7H,2-6H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide?
6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide is sourced from PubChem (CID 129172315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).