ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide

C11H20N2OS — CID 176997908

IUPACethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC.CCNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C9H14N2OS.C2H6/c1-4-10-8(12)9-11-7(5-13-9)6(2)3;1-2/h5-6H,4H2,1-3H3,(H,10,12);1-2H3
InChIKeyHRLYBUPSSJZZPD-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.04
Rot. Bonds3

About ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide

ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 176997908) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID176997908
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Nameethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC.CCNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C9H14N2OS.C2H6/c1-4-10-8(12)9-11-7(5-13-9)6(2)3;1-2/h5-6H,4H2,1-3H3,(H,10,12);1-2H3
InChIKeyHRLYBUPSSJZZPD-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 176997908) is ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC.CCNC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is HRLYBUPSSJZZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.C2H6/c1-4-10-8(12)9-11-7(5-13-9)6(2)3;1-2/h5-6H,4H2,1-3H3,(H,10,12);1-2H3.
What are the key properties of ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide?
ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176997908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).