2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole

C10H16N2S — CID 130703054

IUPAC2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
SMILESCc1nc(C(C)N2CCCC2)cs1
InChIInChI=1S/C10H16N2S/c1-8(12-5-3-4-6-12)10-7-13-9(2)11-10/h7-8H,3-6H2,1-2H3
InChIKeyTWGVJHDJTQHRRY-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.61
Rot. Bonds2

About 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole

2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole (PubChem CID 130703054) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
PubChem CID130703054
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
SMILESCc1nc(C(C)N2CCCC2)cs1
InChIInChI=1S/C10H16N2S/c1-8(12-5-3-4-6-12)10-7-13-9(2)11-10/h7-8H,3-6H2,1-2H3
InChIKeyTWGVJHDJTQHRRY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
CID 102849371
[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine
CID 114960021
2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 116891617
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
CID 67624418
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95131912
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 95760970
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
2-[1-(azepan-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688728

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole (CID 130703054) is 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole is Cc1nc(C(C)N2CCCC2)cs1.
What is the InChIKey of 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole?
The InChIKey is TWGVJHDJTQHRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(12-5-3-4-6-12)10-7-13-9(2)11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole?
2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole has a molecular weight of 196.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 130703054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).