ethane;2-pyrrolidin-1-yl-1,3-thiazole

C9H16N2S — CID 176952882

IUPACethane;2-pyrrolidin-1-yl-1,3-thiazole
SMILESCC.c1csc(N2CCCC2)n1
InChIInChI=1S/C7H10N2S.C2H6/c1-2-5-9(4-1)7-8-3-6-10-7;1-2/h3,6H,1-2,4-5H2;1-2H3
InChIKeyXPWOKWUUGZYHBI-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.77
Rot. Bonds1

About ethane;2-pyrrolidin-1-yl-1,3-thiazole

ethane;2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 176952882) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is ethane;2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID176952882
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Nameethane;2-pyrrolidin-1-yl-1,3-thiazole
SMILESCC.c1csc(N2CCCC2)n1
InChIInChI=1S/C7H10N2S.C2H6/c1-2-5-9(4-1)7-8-3-6-10-7;1-2/h3,6H,1-2,4-5H2;1-2H3
InChIKeyXPWOKWUUGZYHBI-UHFFFAOYSA-N
XLogP2.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
2-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]-1,3-thiazole
CID 136573614
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
CID 131132191
2-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)-1,3-thiazole
CID 97393771
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176

Frequently Asked Questions

What is the IUPAC name of ethane;2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of ethane;2-pyrrolidin-1-yl-1,3-thiazole (CID 176952882) is ethane;2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for ethane;2-pyrrolidin-1-yl-1,3-thiazole is CC.c1csc(N2CCCC2)n1.
What is the InChIKey of ethane;2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is XPWOKWUUGZYHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C2H6/c1-2-5-9(4-1)7-8-3-6-10-7;1-2/h3,6H,1-2,4-5H2;1-2H3.
What are the key properties of ethane;2-pyrrolidin-1-yl-1,3-thiazole?
ethane;2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 184.31 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 176952882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).