5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C9H11N5OS2 — CID 114129336

IUPAC5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2nnc(N)s2)s1
InChIInChI=1S/C9H11N5OS2/c1-2-5-3-11-6(16-5)4-12-7(15)8-13-14-9(10)17-8/h3H,2,4H2,1H3,(H2,10,14)(H,12,15)
InChIKeyOZZXBVMYXGKQJC-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.07
Rot. Bonds4

About 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 114129336) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID114129336
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC Name5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2nnc(N)s2)s1
InChIInChI=1S/C9H11N5OS2/c1-2-5-3-11-6(16-5)4-12-7(15)8-13-14-9(10)17-8/h3H,2,4H2,1H3,(H2,10,14)(H,12,15)
InChIKeyOZZXBVMYXGKQJC-UHFFFAOYSA-N
XLogP1.07
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 114129336) is 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCc1cnc(CNC(=O)c2nnc(N)s2)s1.
What is the InChIKey of 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OZZXBVMYXGKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-2-5-3-11-6(16-5)4-12-7(15)8-13-14-9(10)17-8/h3H,2,4H2,1H3,(H2,10,14)(H,12,15).
What are the key properties of 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 269.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 114129336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).