N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C9H9N3O2S2 — CID 130285052

IUPACN-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCONc1cnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C9H9N3O2S2/c1-14-12-7-5-10-9(16-7)11-8(13)6-3-2-4-15-6/h2-5,12H,1H3,(H,10,11,13)
InChIKeyHDDTZWATEJIMAO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.43
Rot. Bonds4

About N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 130285052) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID130285052
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC NameN-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCONc1cnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C9H9N3O2S2/c1-14-12-7-5-10-9(16-7)11-8(13)6-3-2-4-15-6/h2-5,12H,1H3,(H,10,11,13)
InChIKeyHDDTZWATEJIMAO-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827660
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 17013680
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 795327
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 130285052) is N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CONc1cnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is HDDTZWATEJIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-14-12-7-5-10-9(16-7)11-8(13)6-3-2-4-15-6/h2-5,12H,1H3,(H,10,11,13).
What are the key properties of N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxyamino)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 130285052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).