5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile

C9H13N3OS — CID 102701722

IUPAC5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCOC(C)CNc1snc(C)c1C#N
InChIInChI=1S/C9H13N3OS/c1-6(13-3)5-11-9-8(4-10)7(2)12-14-9/h6,11H,5H2,1-3H3
InChIKeyLOKZDOIHJOFIBB-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.77
Rot. Bonds4

About 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 102701722) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID102701722
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCOC(C)CNc1snc(C)c1C#N
InChIInChI=1S/C9H13N3OS/c1-6(13-3)5-11-9-8(4-10)7(2)12-14-9/h6,11H,5H2,1-3H3
InChIKeyLOKZDOIHJOFIBB-UHFFFAOYSA-N
XLogP1.77
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375791
3-methyl-5-(5-methylhexylamino)-1,2-thiazole-4-carbonitrile
CID 115327250
5-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 146125787
5-[(2-hydroxy-2-methylpropyl)amino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 130964806
3-methyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-carbonitrile
CID 115522986
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
CID 138481254
N-(2-methoxypropyl)-2,1-benzothiazol-3-amine
CID 102699127
3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 81173430
3-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carbonitrile
CID 79375135
5-(3,5-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375201
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 79375794
3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 102701722) is 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile is COC(C)CNc1snc(C)c1C#N.
What is the InChIKey of 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is LOKZDOIHJOFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6(13-3)5-11-9-8(4-10)7(2)12-14-9/h6,11H,5H2,1-3H3.
What are the key properties of 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 211.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 102701722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).