4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole

C10H15ClN2S — CID 60974332

IUPAC4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
SMILESCCC1CCCN1c1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2S/c1-2-9-4-3-5-13(9)10-12-8(6-11)7-14-10/h7,9H,2-6H2,1H3
InChIKeyWXXHNLPHOIYGIH-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.26
Rot. Bonds3

About 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole

4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 60974332) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID60974332
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
SMILESCCC1CCCN1c1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2S/c1-2-9-4-3-5-13(9)10-12-8(6-11)7-14-10/h7,9H,2-6H2,1H3
InChIKeyWXXHNLPHOIYGIH-UHFFFAOYSA-N
XLogP3.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890368
4-(chloromethyl)-2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazole
CID 62122876
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63760448
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole
CID 63390030
2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-4-(chloromethyl)-1,3-thiazole
CID 130978354
2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
CID 131043281
methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423688
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 43532074
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole (CID 60974332) is 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole is CCC1CCCN1c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is WXXHNLPHOIYGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-2-9-4-3-5-13(9)10-12-8(6-11)7-14-10/h7,9H,2-6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole?
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 230.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 60974332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).