7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide

C16H15N3O3S — CID 4975873

IUPAC7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1
InChIInChI=1S/C16H15N3O3S/c1-3-4-14-18-19-16(23-14)17-15(21)13-8-11(20)10-6-5-9(2)7-12(10)22-13/h5-8H,3-4H2,1-2H3,(H,17,19,21)
InChIKeyBVACBJPKTWAZIV-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.16
Rot. Bonds4

About 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide

7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide (PubChem CID 4975873) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
PubChem CID4975873
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
SMILESCCCc1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1
InChIInChI=1S/C16H15N3O3S/c1-3-4-14-18-19-16(23-14)17-15(21)13-8-11(20)10-6-5-9(2)7-12(10)22-13/h5-8H,3-4H2,1-2H3,(H,17,19,21)
InChIKeyBVACBJPKTWAZIV-UHFFFAOYSA-N
XLogP3.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 78778902
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4871288
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
7-methyl-2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)acetyl]chromen-4-one
CID 161397000
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108803255
2-(methanesulfonamido)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 86846575
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
6-chloro-7-methyl-4-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4974159
2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209694
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide (CID 4975873) is 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide is CCCc1nnc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)s1.
What is the InChIKey of 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
The InChIKey is BVACBJPKTWAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-3-4-14-18-19-16(23-14)17-15(21)13-8-11(20)10-6-5-9(2)7-12(10)22-13/h5-8H,3-4H2,1-2H3,(H,17,19,21).
What are the key properties of 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide?
7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide is sourced from PubChem (CID 4975873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).