6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

C10H11N5O2S — CID 91816287

IUPAC6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2nnc(C)s2)ncn1
InChIInChI=1S/C10H11N5O2S/c1-3-17-8-4-7(11-5-12-8)9(16)13-10-15-14-6(2)18-10/h4-5H,3H2,1-2H3,(H,13,15,16)
InChIKeyRXGSBBWRLWXGJE-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.29
Rot. Bonds4

About 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide

6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 91816287) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID91816287
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2nnc(C)s2)ncn1
InChIInChI=1S/C10H11N5O2S/c1-3-17-8-4-7(11-5-12-8)9(16)13-10-15-14-6(2)18-10/h4-5H,3H2,1-2H3,(H,13,15,16)
InChIKeyRXGSBBWRLWXGJE-UHFFFAOYSA-N
XLogP1.29
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide (CID 91816287) is 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2nnc(C)s2)ncn1.
What is the InChIKey of 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is RXGSBBWRLWXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-3-17-8-4-7(11-5-12-8)9(16)13-10-15-14-6(2)18-10/h4-5H,3H2,1-2H3,(H,13,15,16).
What are the key properties of 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide?
6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91816287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).