1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C15H19N3O2S2 — CID 22971386

IUPAC1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)C3(C)CC3)s2)o1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)10-6-16-11(20-10)8-21-12-7-17-14(22-12)18-13(19)15(3)4-5-15/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyFMYAFBMXCGTTSL-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.29
Rot. Bonds6

About 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 22971386) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID22971386
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)C3(C)CC3)s2)o1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)10-6-16-11(20-10)8-21-12-7-17-14(22-12)18-13(19)15(3)4-5-15/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyFMYAFBMXCGTTSL-UHFFFAOYSA-N
XLogP4.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 22971386) is 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is CC(C)c1cnc(CSc2cnc(NC(=O)C3(C)CC3)s2)o1.
What is the InChIKey of 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is FMYAFBMXCGTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-9(2)10-6-16-11(20-10)8-21-12-7-17-14(22-12)18-13(19)15(3)4-5-15/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 22971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).