3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide

C12H20N4OS — CID 103524899

IUPAC3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCNCC2)cc1N
InChIInChI=1S/C12H20N4OS/c1-2-15-12(17)11-9(13)8-10(18-11)16-6-3-4-14-5-7-16/h8,14H,2-7,13H2,1H3,(H,15,17)
InChIKeyACAVCVFFHYMIMV-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.88
Rot. Bonds3

About 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide

3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide (PubChem CID 103524899) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide
PubChem CID103524899
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCNCC2)cc1N
InChIInChI=1S/C12H20N4OS/c1-2-15-12(17)11-9(13)8-10(18-11)16-6-3-4-14-5-7-16/h8,14H,2-7,13H2,1H3,(H,15,17)
InChIKeyACAVCVFFHYMIMV-UHFFFAOYSA-N
XLogP0.88
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421831
1-[3-amino-5-(1,4-diazepan-1-yl)thiophen-2-yl]-2-methylpropan-1-one
CID 103524875
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506550
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
4-amino-2-(1,4-diazepan-1-yl)-N-methyl-5-propanoylthiophene-3-carboxamide
CID 103524842
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419290

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide (CID 103524899) is 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCNCC2)cc1N.
What is the InChIKey of 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide?
The InChIKey is ACAVCVFFHYMIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-15-12(17)11-9(13)8-10(18-11)16-6-3-4-14-5-7-16/h8,14H,2-7,13H2,1H3,(H,15,17).
What are the key properties of 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide?
3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103524899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).