4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole

C15H25N3S — CID 164639571

IUPAC4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCc1nc(N2CC[C@H](C3CCN(C)CC3)C2)sc1C
InChIInChI=1S/C15H25N3S/c1-11-12(2)19-15(16-11)18-9-6-14(10-18)13-4-7-17(3)8-5-13/h13-14H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyYIBBZTJOSWCPKX-AWEZNQCLSA-N
MW279.45 g/mol
LogP2.93
Rot. Bonds2

About 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole

4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 164639571) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID164639571
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
SMILESCc1nc(N2CC[C@H](C3CCN(C)CC3)C2)sc1C
InChIInChI=1S/C15H25N3S/c1-11-12(2)19-15(16-11)18-9-6-14(10-18)13-4-7-17(3)8-5-13/h13-14H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyYIBBZTJOSWCPKX-AWEZNQCLSA-N
XLogP2.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,3-thiazole
CID 121185466
(3aR,7aS)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138387409
4,5-dimethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 65168397
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 65169125
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
CID 126946675
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
CID 65168736
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259
3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133391187
[4-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
CID 81206184
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole (CID 164639571) is 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole is Cc1nc(N2CC[C@H](C3CCN(C)CC3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is YIBBZTJOSWCPKX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3S/c1-11-12(2)19-15(16-11)18-9-6-14(10-18)13-4-7-17(3)8-5-13/h13-14H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole?
4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 164639571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).