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

C11H20N2OS — CID 176998344

IUPACethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC.CCNC(=O)c1cc(C(C)C)sn1
InChIInChI=1S/C9H14N2OS.C2H6/c1-4-10-9(12)7-5-8(6(2)3)13-11-7;1-2/h5-6H,4H2,1-3H3,(H,10,12);1-2H3
InChIKeyZHRCLIZZSPWTRQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.04
Rot. Bonds3

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

ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide (PubChem CID 176998344) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
PubChem CID176998344
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Nameethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC.CCNC(=O)c1cc(C(C)C)sn1
InChIInChI=1S/C9H14N2OS.C2H6/c1-4-10-9(12)7-5-8(6(2)3)13-11-7;1-2/h5-6H,4H2,1-3H3,(H,10,12);1-2H3
InChIKeyZHRCLIZZSPWTRQ-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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Related Compounds

N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946330
N-((2S,4R)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946370
rel-N-((1s,3s)-3-Hydroxy-3-methylcyclobutyl)-5-methylisothiazole-3-carboxamide
CID 126819050
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126819064
5-methyl-N-(3-pyrrolidin-1-ylcyclobutyl)-1,2-thiazole-3-carboxamide
CID 132319301
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 132323062
N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
CID 166845261
N-((1r,4r)-4-aminocyclohexyl)-5-ethylisothiazole-3-carboxamide
CID 132227965
5-methyl-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]-1,2-thiazole-3-carboxamide
CID 126826310
N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126826356
5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide
CID 126831320
N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 130637820

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide (CID 176998344) is ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide is CC.CCNC(=O)c1cc(C(C)C)sn1.
What is the InChIKey of ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The InChIKey is ZHRCLIZZSPWTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.C2H6/c1-4-10-9(12)7-5-8(6(2)3)13-11-7;1-2/h5-6H,4H2,1-3H3,(H,10,12);1-2H3.
What are the key properties of ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
ethane;N-ethyl-5-propan-2-yl-1,2-thiazole-3-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-5-propan-2-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 176998344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).