[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone

C18H30N4OS — CID 46979592

IUPAC[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(N2CCCC2)sc1C(=O)N1CCC(CCN(C)C)CC1
InChIInChI=1S/C18H30N4OS/c1-14-16(24-18(19-14)22-9-4-5-10-22)17(23)21-12-7-15(8-13-21)6-11-20(2)3/h15H,4-13H2,1-3H3
InChIKeyJZZHRSWHGNTDGG-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.86
Rot. Bonds5

About [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone (PubChem CID 46979592) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
PubChem CID46979592
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(N2CCCC2)sc1C(=O)N1CCC(CCN(C)C)CC1
InChIInChI=1S/C18H30N4OS/c1-14-16(24-18(19-14)22-9-4-5-10-22)17(23)21-12-7-15(8-13-21)6-11-20(2)3/h15H,4-13H2,1-3H3
InChIKeyJZZHRSWHGNTDGG-UHFFFAOYSA-N
XLogP2.86
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone 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

[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92613530
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887558
1-[2-(4-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750988
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 116666223
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 49017741
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
[4-amino-2-(4-aminopiperidin-1-yl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667403

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone (CID 46979592) is [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone is Cc1nc(N2CCCC2)sc1C(=O)N1CCC(CCN(C)C)CC1.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is JZZHRSWHGNTDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-14-16(24-18(19-14)22-9-4-5-10-22)17(23)21-12-7-15(8-13-21)6-11-20(2)3/h15H,4-13H2,1-3H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone?
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 350.53 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 46979592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).