N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

C15H20N4O2S — CID 29023984

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)c1csc(C(C)C)n1
InChIInChI=1S/C15H20N4O2S/c1-4-19(7-12-17-13(21-18-12)10-5-6-10)15(20)11-8-22-14(16-11)9(2)3/h8-10H,4-7H2,1-3H3
InChIKeyHDBDNUOLKRAFBW-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.19
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 29023984) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID29023984
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1noc(C2CC2)n1)C(=O)c1csc(C(C)C)n1
InChIInChI=1S/C15H20N4O2S/c1-4-19(7-12-17-13(21-18-12)10-5-6-10)15(20)11-8-22-14(16-11)9(2)3/h8-10H,4-7H2,1-3H3
InChIKeyHDBDNUOLKRAFBW-UHFFFAOYSA-N
XLogP3.19
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 29023984) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide is CCN(Cc1noc(C2CC2)n1)C(=O)c1csc(C(C)C)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HDBDNUOLKRAFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-19(7-12-17-13(21-18-12)10-5-6-10)15(20)11-8-22-14(16-11)9(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 29023984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).