N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide

C8H8N4O2S2 — CID 108520051

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4O2S2/c13-5(11-7-9-1-3-15-7)6(14)12-8-10-2-4-16-8/h1,3H,2,4H2,(H,9,11,13)(H,10,12,14)
InChIKeyCOPOVXWGOGZEDK-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.30
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 108520051) has the molecular formula C8H8N4O2S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID108520051
Molecular FormulaC8H8N4O2S2
Molecular Weight256.31 g/mol
Exact Mass256.01
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4O2S2/c13-5(11-7-9-1-3-15-7)6(14)12-8-10-2-4-16-8/h1,3H,2,4H2,(H,9,11,13)(H,10,12,14)
InChIKeyCOPOVXWGOGZEDK-UHFFFAOYSA-N
XLogP0.30
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530774
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate
CID 143406687
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
3,3-dicyclopropyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 47299476
N-(2,6-diethylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108511411
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide (CID 108520051) is N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide is O=C(NC1=NCCS1)C(=O)Nc1nccs1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is COPOVXWGOGZEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S2/c13-5(11-7-9-1-3-15-7)6(14)12-8-10-2-4-16-8/h1,3H,2,4H2,(H,9,11,13)(H,10,12,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 256.31 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108520051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).