2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

C15H13N5O2S2 — CID 3193171

IUPAC2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2sc(NC(=O)c3ccccc3)nc2C)s1
InChIInChI=1S/C15H13N5O2S2/c1-8-11(13(22)18-15-20-19-9(2)23-15)24-14(16-8)17-12(21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,21)(H,18,20,22)
InChIKeyUUDDSWLXPIWXKB-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.12
Rot. Bonds4

About 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 3193171) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID3193171
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2sc(NC(=O)c3ccccc3)nc2C)s1
InChIInChI=1S/C15H13N5O2S2/c1-8-11(13(22)18-15-20-19-9(2)23-15)24-14(16-8)17-12(21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,21)(H,18,20,22)
InChIKeyUUDDSWLXPIWXKB-UHFFFAOYSA-N
XLogP3.12
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 3193171) is 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1nnc(NC(=O)c2sc(NC(=O)c3ccccc3)nc2C)s1.
What is the InChIKey of 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UUDDSWLXPIWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-8-11(13(22)18-15-20-19-9(2)23-15)24-14(16-8)17-12(21)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,21)(H,18,20,22).
What are the key properties of 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 359.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3193171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).