5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide

C13H22N2O2S — CID 69319246

IUPAC5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCOC(C)(C)CCCC(C)c1cnc(C(N)=O)s1
InChIInChI=1S/C13H22N2O2S/c1-9(6-5-7-13(2,3)17-4)10-8-15-12(18-10)11(14)16/h8-9H,5-7H2,1-4H3,(H2,14,16)
InChIKeyDQXGQMPUAXTETI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.94
Rot. Bonds7

About 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide

5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 69319246) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID69319246
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCOC(C)(C)CCCC(C)c1cnc(C(N)=O)s1
InChIInChI=1S/C13H22N2O2S/c1-9(6-5-7-13(2,3)17-4)10-8-15-12(18-10)11(14)16/h8-9H,5-7H2,1-4H3,(H2,14,16)
InChIKeyDQXGQMPUAXTETI-UHFFFAOYSA-N
XLogP2.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide (CID 69319246) is 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide is COC(C)(C)CCCC(C)c1cnc(C(N)=O)s1.
What is the InChIKey of 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is DQXGQMPUAXTETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(6-5-7-13(2,3)17-4)10-8-15-12(18-10)11(14)16/h8-9H,5-7H2,1-4H3,(H2,14,16).
What are the key properties of 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide?
5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-6-methylheptan-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69319246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).