N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C15H13N3O2S2 — CID 90502740

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)s1
InChIInChI=1S/C15H13N3O2S2/c1-9-8-16-14(22-9)17-13(19)15(4-5-15)12-7-10(20-18-12)11-3-2-6-21-11/h2-3,6-8H,4-5H2,1H3,(H,16,17,19)
InChIKeyFGTONHBSPJQZOC-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.84
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502740) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502740
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)s1
InChIInChI=1S/C15H13N3O2S2/c1-9-8-16-14(22-9)17-13(19)15(4-5-15)12-7-10(20-18-12)11-3-2-6-21-11/h2-3,6-8H,4-5H2,1H3,(H,16,17,19)
InChIKeyFGTONHBSPJQZOC-UHFFFAOYSA-N
XLogP3.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502740) is N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1cnc(NC(=O)C2(c3cc(-c4cccs4)on3)CC2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is FGTONHBSPJQZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9-8-16-14(22-9)17-13(19)15(4-5-15)12-7-10(20-18-12)11-3-2-6-21-11/h2-3,6-8H,4-5H2,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).