3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide

C16H25N3OS — CID 103419645

IUPAC3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCCCC2)c(C2CC2)c1N
InChIInChI=1S/C16H25N3OS/c1-2-18-15(20)14-13(17)12(11-7-8-11)16(21-14)19-9-5-3-4-6-10-19/h11H,2-10,17H2,1H3,(H,18,20)
InChIKeyHTMQJZZPBTVKOZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.34
Rot. Bonds4

About 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide

3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide (PubChem CID 103419645) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
PubChem CID103419645
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCCCCC2)c(C2CC2)c1N
InChIInChI=1S/C16H25N3OS/c1-2-18-15(20)14-13(17)12(11-7-8-11)16(21-14)19-9-5-3-4-6-10-19/h11H,2-10,17H2,1H3,(H,18,20)
InChIKeyHTMQJZZPBTVKOZ-UHFFFAOYSA-N
XLogP3.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide (CID 103419645) is 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(N2CCCCCC2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide?
The InChIKey is HTMQJZZPBTVKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-18-15(20)14-13(17)12(11-7-8-11)16(21-14)19-9-5-3-4-6-10-19/h11H,2-10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide?
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103419645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).