N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine

C19H26N2O3S — CID 91834710

IUPACN-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CN(Cc2cscn2)C2CCCC2)c(OC)c1OC
InChIInChI=1S/C19H26N2O3S/c1-22-17-9-8-14(18(23-2)19(17)24-3)10-21(16-6-4-5-7-16)11-15-12-25-13-20-15/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyNPKVIUAZJXOTHF-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.11
Rot. Bonds8

About N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine

N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine (PubChem CID 91834710) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine
PubChem CID91834710
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CN(Cc2cscn2)C2CCCC2)c(OC)c1OC
InChIInChI=1S/C19H26N2O3S/c1-22-17-9-8-14(18(23-2)19(17)24-3)10-21(16-6-4-5-7-16)11-15-12-25-13-20-15/h8-9,12-13,16H,4-7,10-11H2,1-3H3
InChIKeyNPKVIUAZJXOTHF-UHFFFAOYSA-N
XLogP4.11
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine (CID 91834710) is N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine is COc1ccc(CN(Cc2cscn2)C2CCCC2)c(OC)c1OC.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine?
The InChIKey is NPKVIUAZJXOTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-22-17-9-8-14(18(23-2)19(17)24-3)10-21(16-6-4-5-7-16)11-15-12-25-13-20-15/h8-9,12-13,16H,4-7,10-11H2,1-3H3.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine?
N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine has a molecular weight of 362.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 91834710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).