4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide

C12H20N2O2S — CID 156544921

IUPAC4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCCCCOc1nc(C)sc1C(N)=O
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-7-8-16-12-10(11(13)15)17-9(2)14-12/h3-8H2,1-2H3,(H2,13,15)
InChIKeyWNZOHWUINQLEBG-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.90
Rot. Bonds8

About 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide

4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 156544921) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID156544921
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCCCCOc1nc(C)sc1C(N)=O
InChIInChI=1S/C12H20N2O2S/c1-3-4-5-6-7-8-16-12-10(11(13)15)17-9(2)14-12/h3-8H2,1-2H3,(H2,13,15)
InChIKeyWNZOHWUINQLEBG-UHFFFAOYSA-N
XLogP2.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 43450718
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4-hexyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885553
octyl (E)-3-(2-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 157026560
hexyl 2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 23410962
3,5-di(pentadecoxy)benzamide
CID 69275649
ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
CID 57438572
4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
ethyl 2-methyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate;heptane
CID 142605352
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide (CID 156544921) is 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide is CCCCCCCOc1nc(C)sc1C(N)=O.
What is the InChIKey of 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WNZOHWUINQLEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-4-5-6-7-8-16-12-10(11(13)15)17-9(2)14-12/h3-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide?
4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156544921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).