2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole

C10H16N2S — CID 131703773

IUPAC2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCc1nc(C)c(CN2CCCC2)s1
InChIInChI=1S/C10H16N2S/c1-8-10(13-9(2)11-8)7-12-5-3-4-6-12/h3-7H2,1-2H3
InChIKeyNGKFUZUQWUZYOG-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.36
Rot. Bonds2

About 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole

2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 131703773) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID131703773
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESCc1nc(C)c(CN2CCCC2)s1
InChIInChI=1S/C10H16N2S/c1-8-10(13-9(2)11-8)7-12-5-3-4-6-12/h3-7H2,1-2H3
InChIKeyNGKFUZUQWUZYOG-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 131703773) is 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole is Cc1nc(C)c(CN2CCCC2)s1.
What is the InChIKey of 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is NGKFUZUQWUZYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-10(13-9(2)11-8)7-12-5-3-4-6-12/h3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 131703773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).