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

C18H24N4O2S2 — CID 118432691

IUPAC2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1
InChIInChI=1S/C18H24N4O2S2/c1-10-13(17(23)20-18-22-21-11(2)26-18)8-16(25-10)14-7-15(14)19-9-12-3-5-24-6-4-12/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)
InChIKeyPPPLLJFSZGWSSC-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.34
Rot. Bonds6

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

2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (PubChem CID 118432691) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
PubChem CID118432691
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC Name2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1
InChIInChI=1S/C18H24N4O2S2/c1-10-13(17(23)20-18-22-21-11(2)26-18)8-16(25-10)14-7-15(14)19-9-12-3-5-24-6-4-12/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)
InChIKeyPPPLLJFSZGWSSC-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 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide (CID 118432691) is 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is Cc1nnc(NC(=O)c2cc(C3CC3NCC3CCOCC3)sc2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is PPPLLJFSZGWSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-10-13(17(23)20-18-22-21-11(2)26-18)8-16(25-10)14-7-15(14)19-9-12-3-5-24-6-4-12/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23).
What are the key properties of 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide?
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-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 2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118432691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).