N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide

C14H16N4O2S — CID 82176865

IUPACN-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)C3CCCO3)s2)cc1N
InChIInChI=1S/C14H16N4O2S/c1-8-4-5-9(7-10(8)15)13-17-18-14(21-13)16-12(19)11-3-2-6-20-11/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18,19)
InChIKeyGTVXYKYNGIZTSU-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.21
Rot. Bonds3

About N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide

N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 82176865) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID82176865
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)C3CCCO3)s2)cc1N
InChIInChI=1S/C14H16N4O2S/c1-8-4-5-9(7-10(8)15)13-17-18-14(21-13)16-12(19)11-3-2-6-20-11/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18,19)
InChIKeyGTVXYKYNGIZTSU-UHFFFAOYSA-N
XLogP2.21
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-amino-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 82176877
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176866
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82105744
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176867
(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 99834661
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 82176862
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 82176865) is N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is Cc1ccc(-c2nnc(NC(=O)C3CCCO3)s2)cc1N.
What is the InChIKey of N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is GTVXYKYNGIZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-4-5-9(7-10(8)15)13-17-18-14(21-13)16-12(19)11-3-2-6-20-11/h4-5,7,11H,2-3,6,15H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 82176865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).