1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide

C16H22N2OS — CID 142832976

IUPAC1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide
SMILESCCC(C)(C)c1ccc(C)cc1.O=CNc1nccs1
InChIInChI=1S/C12H18.C4H4N2OS/c1-5-12(3,4)11-8-6-10(2)7-9-11;7-3-6-4-5-1-2-8-4/h6-9H,5H2,1-4H3;1-3H,(H,5,6,7)
InChIKeyVTMPNEFBYILJPR-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.39
Rot. Bonds4

About 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide

1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide (PubChem CID 142832976) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound Name1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide
PubChem CID142832976
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide
SMILESCCC(C)(C)c1ccc(C)cc1.O=CNc1nccs1
InChIInChI=1S/C12H18.C4H4N2OS/c1-5-12(3,4)11-8-6-10(2)7-9-11;7-3-6-4-5-1-2-8-4/h6-9H,5H2,1-4H3;1-3H,(H,5,6,7)
InChIKeyVTMPNEFBYILJPR-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide?
The IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide (CID 142832976) is 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide.
What is the SMILES notation for 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide?
The canonical SMILES for 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide is CCC(C)(C)c1ccc(C)cc1.O=CNc1nccs1.
What is the InChIKey of 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide?
The InChIKey is VTMPNEFBYILJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C4H4N2OS/c1-5-12(3,4)11-8-6-10(2)7-9-11;7-3-6-4-5-1-2-8-4/h6-9H,5H2,1-4H3;1-3H,(H,5,6,7).
What are the key properties of 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide?
1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide has a molecular weight of 290.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbutan-2-yl)benzene;N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 142832976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).