2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide

C18H20N8O2S — CID 155944253

IUPAC2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NC(c3nc(-c4ncn[nH]4)no3)C(C)C)sc2n1
InChIInChI=1S/C18H20N8O2S/c1-7(2)12(17-24-15(26-28-17)14-19-6-20-25-14)23-16(27)13-8(3)11-9(4)21-10(5)22-18(11)29-13/h6-7,12H,1-5H3,(H,23,27)(H,19,20,25)
InChIKeyKZFPEKUEMLEVJS-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.91
Rot. Bonds5

About 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide

2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 155944253) has the molecular formula C18H20N8O2S and a molecular weight of 412.48 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID155944253
Molecular FormulaC18H20N8O2S
Molecular Weight412.48 g/mol
Exact Mass412.14
IUPAC Name2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NC(c3nc(-c4ncn[nH]4)no3)C(C)C)sc2n1
InChIInChI=1S/C18H20N8O2S/c1-7(2)12(17-24-15(26-28-17)14-19-6-20-25-14)23-16(27)13-8(3)11-9(4)21-10(5)22-18(11)29-13/h6-7,12H,1-5H3,(H,23,27)(H,19,20,25)
InChIKeyKZFPEKUEMLEVJS-UHFFFAOYSA-N
XLogP2.91
TPSA135.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-4-propoxybenzamide
CID 125434391
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
1-[(1R)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-3-prop-2-enylurea
CID 97239707
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide
CID 118984717
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29274008
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46571134
N,5-dimethyl-4-oxo-2-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 47141990
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]urea
CID 154864202
2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 43056727
3,7-dimethyl-N-[(1R)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1-benzofuran-2-carboxamide
CID 97072599
2-ethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133405345
1-(3,5-dimethoxyphenyl)-3-[3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]urea
CID 75453171

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 155944253) is 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)NC(c3nc(-c4ncn[nH]4)no3)C(C)C)sc2n1.
What is the InChIKey of 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KZFPEKUEMLEVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2S/c1-7(2)12(17-24-15(26-28-17)14-19-6-20-25-14)23-16(27)13-8(3)11-9(4)21-10(5)22-18(11)29-13/h6-7,12H,1-5H3,(H,23,27)(H,19,20,25).
What are the key properties of 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 155944253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).