N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine

C15H24N6OS — CID 74246993

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCOCCn1cnnc1CN(C)Cc1cnc(N2CCCC2)s1
InChIInChI=1S/C15H24N6OS/c1-19(11-14-18-17-12-21(14)7-8-22-2)10-13-9-16-15(23-13)20-5-3-4-6-20/h9,12H,3-8,10-11H2,1-2H3
InChIKeyBJTYTSDORWNMIQ-UHFFFAOYSA-N
MW336.47 g/mol
LogP1.61
Rot. Bonds8

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 74246993) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID74246993
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCOCCn1cnnc1CN(C)Cc1cnc(N2CCCC2)s1
InChIInChI=1S/C15H24N6OS/c1-19(11-14-18-17-12-21(14)7-8-22-2)10-13-9-16-15(23-13)20-5-3-4-6-20/h9,12H,3-8,10-11H2,1-2H3
InChIKeyBJTYTSDORWNMIQ-UHFFFAOYSA-N
XLogP1.61
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine (CID 74246993) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine is COCCn1cnnc1CN(C)Cc1cnc(N2CCCC2)s1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is BJTYTSDORWNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-19(11-14-18-17-12-21(14)7-8-22-2)10-13-9-16-15(23-13)20-5-3-4-6-20/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 336.47 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 74246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).