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

C8H7N3O2S2 — CID 103775064

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1cscn1
InChIInChI=1S/C8H7N3O2S2/c12-7(6-3-14-4-10-6)9-1-5-2-15-8(13)11-5/h2-4H,1H2,(H,9,12)(H,11,13)
InChIKeyGCSDNGLCDPSSTP-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.82
Rot. Bonds3

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 103775064) has the molecular formula C8H7N3O2S2 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID103775064
Molecular FormulaC8H7N3O2S2
Molecular Weight241.30 g/mol
Exact Mass241.00
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)c1cscn1
InChIInChI=1S/C8H7N3O2S2/c12-7(6-3-14-4-10-6)9-1-5-2-15-8(13)11-5/h2-4H,1H2,(H,9,12)(H,11,13)
InChIKeyGCSDNGLCDPSSTP-UHFFFAOYSA-N
XLogP0.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
5-cyano-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 103775088
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
4-[(1,3-thiazol-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380405
2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 106381203
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 106383359
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
2-fluoro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 104929955

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 103775064) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1csc(=O)[nH]1)c1cscn1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GCSDNGLCDPSSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S2/c12-7(6-3-14-4-10-6)9-1-5-2-15-8(13)11-5/h2-4H,1H2,(H,9,12)(H,11,13).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 241.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103775064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).