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

C14H23N3S — CID 65168397

IUPAC4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCCC(C3CCCN3)C2)sc1C
InChIInChI=1S/C14H23N3S/c1-10-11(2)18-14(16-10)17-8-4-5-12(9-17)13-6-3-7-15-13/h12-13,15H,3-9H2,1-2H3
InChIKeyBYNQBLNXQDJIIF-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.73
Rot. Bonds2

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

4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole (PubChem CID 65168397) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
PubChem CID65168397
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCCC(C3CCCN3)C2)sc1C
InChIInChI=1S/C14H23N3S/c1-10-11(2)18-14(16-10)17-8-4-5-12(9-17)13-6-3-7-15-13/h12-13,15H,3-9H2,1-2H3
InChIKeyBYNQBLNXQDJIIF-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 62961567
4-chloro-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106595938
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
4-methyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 62958401
4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 164639571
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
CID 65168736
4,5-dimethyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 121185466
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014
5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 114600863
1-(1-cyclopentylimidazol-2-yl)-3-pyrrolidin-2-ylpiperidine
CID 106551969
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204630

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole (CID 65168397) is 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole is Cc1nc(N2CCCC(C3CCCN3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is BYNQBLNXQDJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10-11(2)18-14(16-10)17-8-4-5-12(9-17)13-6-3-7-15-13/h12-13,15H,3-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 65168397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).