4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole

C16H27N3S — CID 119932589

IUPAC4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
SMILESCc1nc(C2CCCN(CC3CCNCC3)C2)sc1C
InChIInChI=1S/C16H27N3S/c1-12-13(2)20-16(18-12)15-4-3-9-19(11-15)10-14-5-7-17-8-6-14/h14-15,17H,3-11H2,1-2H3
InChIKeyOPOFVYAZDWJHOK-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.94
Rot. Bonds3

About 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole

4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole (PubChem CID 119932589) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
PubChem CID119932589
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
SMILESCc1nc(C2CCCN(CC3CCNCC3)C2)sc1C
InChIInChI=1S/C16H27N3S/c1-12-13(2)20-16(18-12)15-4-3-9-19(11-15)10-14-5-7-17-8-6-14/h14-15,17H,3-11H2,1-2H3
InChIKeyOPOFVYAZDWJHOK-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752782
3-(2-methylpyrazol-3-yl)-1-(piperidin-4-ylmethyl)piperidine
CID 119932582
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 164641454
[1-(2,2-difluoroethyl)azetidin-3-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 138036814
1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95777816
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591
[4-(aminomethyl)oxan-4-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940816
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
3-(4-fluorophenyl)-5-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 119931231

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole (CID 119932589) is 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole is Cc1nc(C2CCCN(CC3CCNCC3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is OPOFVYAZDWJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12-13(2)20-16(18-12)15-4-3-9-19(11-15)10-14-5-7-17-8-6-14/h14-15,17H,3-11H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole?
4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 293.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 119932589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).