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

C11H20N2S — CID 143966374

IUPACethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCC.Cc1nc(CN2CCCC2)cs1
InChIInChI=1S/C9H14N2S.C2H6/c1-8-10-9(7-12-8)6-11-4-2-3-5-11;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyAOFJCFOXVOJSKJ-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.07
Rot. Bonds2

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

ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 143966374) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID143966374
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Nameethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCC.Cc1nc(CN2CCCC2)cs1
InChIInChI=1S/C9H14N2S.C2H6/c1-8-10-9(7-12-8)6-11-4-2-3-5-11;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyAOFJCFOXVOJSKJ-UHFFFAOYSA-N
XLogP3.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-methyl-4-[[3-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97405626
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64944057

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 143966374) is ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is CC.Cc1nc(CN2CCCC2)cs1.
What is the InChIKey of ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is AOFJCFOXVOJSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.C2H6/c1-8-10-9(7-12-8)6-11-4-2-3-5-11;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 212.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 143966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).