4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole

C14H26N2S — CID 150538559

IUPAC4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole
SMILESCCCCN1CCC(C2=CSC(C)N2C)CC1
InChIInChI=1S/C14H26N2S/c1-4-5-8-16-9-6-13(7-10-16)14-11-17-12(2)15(14)3/h11-13H,4-10H2,1-3H3
InChIKeyIFJMZZFGCIYZQO-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.36
Rot. Bonds4

About 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole

4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole (PubChem CID 150538559) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole
PubChem CID150538559
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole
SMILESCCCCN1CCC(C2=CSC(C)N2C)CC1
InChIInChI=1S/C14H26N2S/c1-4-5-8-16-9-6-13(7-10-16)14-11-17-12(2)15(14)3/h11-13H,4-10H2,1-3H3
InChIKeyIFJMZZFGCIYZQO-UHFFFAOYSA-N
XLogP3.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Methylpent-1-en-2-yl)thiomorpholine
CID 89670701
4-(5-Methylhex-1-en-2-yl)thiomorpholine
CID 89670706
2-Methyl-4-(4-methylpent-1-en-2-yl)thiomorpholine
CID 134213127
2,3-dimethyl-4-piperidin-3-yl-2H-1,3-thiazole;methanamine
CID 143328727
N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine
CID 174335647
2,3-dimethyl-4-piperidin-3-yl-2H-1,3-thiazole
CID 143328728
2-(1-Oct-1-en-2-ylpiperidin-4-yl)ethanethiol
CID 153356358

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole?
The IUPAC name of 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole (CID 150538559) is 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole is CCCCN1CCC(C2=CSC(C)N2C)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole?
The InChIKey is IFJMZZFGCIYZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-5-8-16-9-6-13(7-10-16)14-11-17-12(2)15(14)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole?
4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole has a molecular weight of 254.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)-2,3-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 150538559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).