2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

C15H12FN5O2S2 — CID 4169158

IUPAC2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C)s1
InChIInChI=1S/C15H12FN5O2S2/c1-7-11(13(23)19-15-21-20-8(2)24-15)25-14(17-7)18-12(22)9-4-3-5-10(16)6-9/h3-6H,1-2H3,(H,17,18,22)(H,19,21,23)
InChIKeyQWKSFBCKRYWINU-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.26
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 4169158) has the molecular formula C15H12FN5O2S2 and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID4169158
Molecular FormulaC15H12FN5O2S2
Molecular Weight377.43 g/mol
Exact Mass377.04
IUPAC Name2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C)s1
InChIInChI=1S/C15H12FN5O2S2/c1-7-11(13(23)19-15-21-20-8(2)24-15)25-14(17-7)18-12(22)9-4-3-5-10(16)6-9/h3-6H,1-2H3,(H,17,18,22)(H,19,21,23)
InChIKeyQWKSFBCKRYWINU-UHFFFAOYSA-N
XLogP3.26
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 4169158) is 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1nnc(NC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C)s1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QWKSFBCKRYWINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2S2/c1-7-11(13(23)19-15-21-20-8(2)24-15)25-14(17-7)18-12(22)9-4-3-5-10(16)6-9/h3-6H,1-2H3,(H,17,18,22)(H,19,21,23).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4169158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).