1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C18H29N5S — CID 70716094

IUPAC1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C18H29N5S/c1-5-23-17(13-21(3)4)19-20-18(23)15-8-10-22(11-9-15)12-16-7-6-14(2)24-16/h6-7,15H,5,8-13H2,1-4H3
InChIKeyOUWXPBNJZNHIAK-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.11
Rot. Bonds6

About 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70716094) has the molecular formula C18H29N5S and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70716094
Molecular FormulaC18H29N5S
Molecular Weight347.53 g/mol
Exact Mass347.21
IUPAC Name1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C18H29N5S/c1-5-23-17(13-21(3)4)19-20-18(23)15-8-10-22(11-9-15)12-16-7-6-14(2)24-16/h6-7,15H,5,8-13H2,1-4H3
InChIKeyOUWXPBNJZNHIAK-UHFFFAOYSA-N
XLogP3.11
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70716094) is 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CCn1c(CN(C)C)nnc1C1CCN(Cc2ccc(C)s2)CC1.
What is the InChIKey of 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is OUWXPBNJZNHIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5S/c1-5-23-17(13-21(3)4)19-20-18(23)15-8-10-22(11-9-15)12-16-7-6-14(2)24-16/h6-7,15H,5,8-13H2,1-4H3.
What are the key properties of 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 347.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70716094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).