ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide

C14H27N3OS — CID 170575145

IUPACethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide
SMILESCC.CCc1nc(C)c(CN2CCCC2)s1.NC=O
InChIInChI=1S/C11H18N2S.C2H6.CH3NO/c1-3-11-12-9(2)10(14-11)8-13-6-4-5-7-13;1-2;2-1-3/h3-8H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyQZSIYXSQMUOTSZ-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.74
Rot. Bonds3

About ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide

ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide (PubChem CID 170575145) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide.

Molecular Properties

Compound Nameethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide
PubChem CID170575145
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Nameethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide
SMILESCC.CCc1nc(C)c(CN2CCCC2)s1.NC=O
InChIInChI=1S/C11H18N2S.C2H6.CH3NO/c1-3-11-12-9(2)10(14-11)8-13-6-4-5-7-13;1-2;2-1-3/h3-8H2,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyQZSIYXSQMUOTSZ-UHFFFAOYSA-N
XLogP2.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl((4-methyl-2-propyl-1,3-thiazol-5-yl)methyl)amine
CID 62402846
1-(4-Methyl-2-propyl-1,3-thiazol-5-yl)methanamine
CID 28064833
2-[5-(aminomethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
CID 116276649
N,N-diethyl-2-[5-(methylaminomethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 116276861
N,N-dimethyl-2-[5-(methylaminomethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 116276951
[1-[[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120966086
[3-Methyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120967320
5-((3,3-Difluoropyrrolidin-1-yl)methyl)-2,4-dimethylthiazole
CID 122269264
N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide
CID 163295863
1-[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
CID 163342855
[(Dimethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 54044139
2,4-Dimethyl-5-ethylaminomethylthiazole
CID 62402682

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide?
The IUPAC name of ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide (CID 170575145) is ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide.
What is the SMILES notation for ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide?
The canonical SMILES for ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide is CC.CCc1nc(C)c(CN2CCCC2)s1.NC=O.
What is the InChIKey of ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide?
The InChIKey is QZSIYXSQMUOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.C2H6.CH3NO/c1-3-11-12-9(2)10(14-11)8-13-6-4-5-7-13;1-2;2-1-3/h3-8H2,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide?
ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide has a molecular weight of 285.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide is sourced from PubChem (CID 170575145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).