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

C9H11N5OS2 — CID 80616108

IUPAC5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cnc(C)s2)s1
InChIInChI=1S/C9H11N5OS2/c1-5-11-3-6(16-5)4-12-7(15)8-13-14-9(10-2)17-8/h3H,4H2,1-2H3,(H,10,14)(H,12,15)
InChIKeyJJHOHABTTVOWCR-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.27
Rot. Bonds4

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

5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616108) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616108
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC Name5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cnc(C)s2)s1
InChIInChI=1S/C9H11N5OS2/c1-5-11-3-6(16-5)4-12-7(15)8-13-14-9(10-2)17-8/h3H,4H2,1-2H3,(H,10,14)(H,12,15)
InChIKeyJJHOHABTTVOWCR-UHFFFAOYSA-N
XLogP1.27
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616108) is 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2cnc(C)s2)s1.
What is the InChIKey of 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JJHOHABTTVOWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-5-11-3-6(16-5)4-12-7(15)8-13-14-9(10-2)17-8/h3H,4H2,1-2H3,(H,10,14)(H,12,15).
What are the key properties of 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).