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

C7H5ClN4O2S2 — CID 106380637

IUPAC5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1nnc(Cl)s1
InChIInChI=1S/C7H5ClN4O2S2/c8-6-12-11-5(16-6)4(13)9-1-3-2-15-7(14)10-3/h2H,1H2,(H,9,13)(H,10,14)
InChIKeyCNTFSYMBGBMSDG-UHFFFAOYSA-N
MW276.73 g/mol
LogP0.87
Rot. Bonds3

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

5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106380637) has the molecular formula C7H5ClN4O2S2 and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID106380637
Molecular FormulaC7H5ClN4O2S2
Molecular Weight276.73 g/mol
Exact Mass275.95
IUPAC Name5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1nnc(Cl)s1
InChIInChI=1S/C7H5ClN4O2S2/c8-6-12-11-5(16-6)4(13)9-1-3-2-15-7(14)10-3/h2H,1H2,(H,9,13)(H,10,14)
InChIKeyCNTFSYMBGBMSDG-UHFFFAOYSA-N
XLogP0.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103775053
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
6-amino-5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862859
5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383388
5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618520
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 106380637) is 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NCc1csc(=O)[nH]1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CNTFSYMBGBMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2S2/c8-6-12-11-5(16-6)4(13)9-1-3-2-15-7(14)10-3/h2H,1H2,(H,9,13)(H,10,14).
What are the key properties of 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106380637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).