ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C12H22N2OS — CID 176998035

IUPACethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC.CCNC(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C10H16N2OS.C2H6/c1-5-11-9(13)8-7(4)12-10(14-8)6(2)3;1-2/h6H,5H2,1-4H3,(H,11,13);1-2H3
InChIKeyCLSUHMMBEMDQIN-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.35
Rot. Bonds3

About ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 176998035) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID176998035
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Nameethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC.CCNC(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C10H16N2OS.C2H6/c1-5-11-9(13)8-7(4)12-10(14-8)6(2)3;1-2/h6H,5H2,1-4H3,(H,11,13);1-2H3
InChIKeyCLSUHMMBEMDQIN-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.35
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-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 176998035) is ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is CC.CCNC(=O)c1sc(C(C)C)nc1C.
What is the InChIKey of ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CLSUHMMBEMDQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.C2H6/c1-5-11-9(13)8-7(4)12-10(14-8)6(2)3;1-2/h6H,5H2,1-4H3,(H,11,13);1-2H3.
What are the key properties of ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
ethane;N-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 3.35, 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-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 176998035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).