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

C9H14N2S — CID 130167048

IUPAC4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1ncsc1CC1CCCN1
InChIInChI=1S/C9H14N2S/c1-7-9(12-6-11-7)5-8-3-2-4-10-8/h6,8,10H,2-5H2,1H3
InChIKeyGJQFNNZHBKGDBA-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.75
Rot. Bonds2

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

4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 130167048) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID130167048
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1ncsc1CC1CCCN1
InChIInChI=1S/C9H14N2S/c1-7-9(12-6-11-7)5-8-3-2-4-10-8/h6,8,10H,2-5H2,1H3
InChIKeyGJQFNNZHBKGDBA-UHFFFAOYSA-N
XLogP1.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632450
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605468
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107069286
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
5-[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-4-methyl-1,3-thiazole
CID 102682355
4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885170
4-methyl-5-piperidin-2-yl-1,3-thiazole
CID 56607472
2-[(3-methyl-1-benzothiophen-2-yl)methyl]pyrrolidine
CID 116987263
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545327
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azepan-4-amine
CID 104979556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 130167048) is 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1ncsc1CC1CCCN1.
What is the InChIKey of 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is GJQFNNZHBKGDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-9(12-6-11-7)5-8-3-2-4-10-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 130167048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).