3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C16H20N2OS2 — CID 56552336

IUPAC3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1nc(NC(=O)c2sccc2C2CC2)sc1CC
InChIInChI=1S/C16H20N2OS2/c1-3-5-12-13(4-2)21-16(17-12)18-15(19)14-11(8-9-20-14)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyAUOBBWPYYJTQHX-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.85
Rot. Bonds6

About 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 56552336) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID56552336
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1nc(NC(=O)c2sccc2C2CC2)sc1CC
InChIInChI=1S/C16H20N2OS2/c1-3-5-12-13(4-2)21-16(17-12)18-15(19)14-11(8-9-20-14)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyAUOBBWPYYJTQHX-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 56552336) is 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CCCc1nc(NC(=O)c2sccc2C2CC2)sc1CC.
What is the InChIKey of 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is AUOBBWPYYJTQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-3-5-12-13(4-2)21-16(17-12)18-15(19)14-11(8-9-20-14)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56552336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).