5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide

C18H24N4O2S2 — CID 118432664

IUPAC5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
InChIInChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)
InChIKeyAIFVXIXIFFPIJT-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.34
Rot. Bonds6

About 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide

5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide (PubChem CID 118432664) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
PubChem CID118432664
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1
InChIInChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)
InChIKeyAIFVXIXIFFPIJT-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide (CID 118432664) is 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)c(C)s2)s1.
What is the InChIKey of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
The InChIKey is AIFVXIXIFFPIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23).
What are the key properties of 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide?
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 118432664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).