N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C12H17N5O2S — CID 137025319

IUPACN-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)Cc2n[nH]c(=O)[nH]2)cs1
InChIInChI=1S/C12H17N5O2S/c1-7(2)11-13-8(6-20-11)5-17(3)10(18)4-9-14-12(19)16-15-9/h6-7H,4-5H2,1-3H3,(H2,14,15,16,19)
InChIKeyPNJQNCJQBYVREN-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.88
Rot. Bonds5

About N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 137025319) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID137025319
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)Cc2n[nH]c(=O)[nH]2)cs1
InChIInChI=1S/C12H17N5O2S/c1-7(2)11-13-8(6-20-11)5-17(3)10(18)4-9-14-12(19)16-15-9/h6-7H,4-5H2,1-3H3,(H2,14,15,16,19)
InChIKeyPNJQNCJQBYVREN-UHFFFAOYSA-N
XLogP0.88
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 137025319) is N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(C)c1nc(CN(C)C(=O)Cc2n[nH]c(=O)[nH]2)cs1.
What is the InChIKey of N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is PNJQNCJQBYVREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7(2)11-13-8(6-20-11)5-17(3)10(18)4-9-14-12(19)16-15-9/h6-7H,4-5H2,1-3H3,(H2,14,15,16,19).
What are the key properties of N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 295.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 137025319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).