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

C12H16N4O2S — CID 91796761

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2nc(C(C)C)cs2)no1
InChIInChI=1S/C12H16N4O2S/c1-7(2)9-6-19-11(14-9)12(17)16(4)5-10-13-8(3)18-15-10/h6-7H,5H2,1-4H3
InChIKeyIDROXQNRAZVLLQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.23
Rot. Bonds4

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 91796761) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID91796761
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2nc(C(C)C)cs2)no1
InChIInChI=1S/C12H16N4O2S/c1-7(2)9-6-19-11(14-9)12(17)16(4)5-10-13-8(3)18-15-10/h6-7H,5H2,1-4H3
InChIKeyIDROXQNRAZVLLQ-UHFFFAOYSA-N
XLogP2.23
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 91796761) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1nc(CN(C)C(=O)c2nc(C(C)C)cs2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is IDROXQNRAZVLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7(2)9-6-19-11(14-9)12(17)16(4)5-10-13-8(3)18-15-10/h6-7H,5H2,1-4H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91796761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).