N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide

C19H26N4OS — CID 120912564

IUPACN-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(c1nc(CN(CCN)CCc2ccccc2)cs1)C1CC1
InChIInChI=1S/C19H26N4OS/c1-15(24)23(18-7-8-18)19-21-17(14-25-19)13-22(12-10-20)11-9-16-5-3-2-4-6-16/h2-6,14,18H,7-13,20H2,1H3
InChIKeyMVSXLLZHHCNSHV-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.66
Rot. Bonds9

About N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide

N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide (PubChem CID 120912564) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
PubChem CID120912564
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(c1nc(CN(CCN)CCc2ccccc2)cs1)C1CC1
InChIInChI=1S/C19H26N4OS/c1-15(24)23(18-7-8-18)19-21-17(14-25-19)13-22(12-10-20)11-9-16-5-3-2-4-6-16/h2-6,14,18H,7-13,20H2,1H3
InChIKeyMVSXLLZHHCNSHV-UHFFFAOYSA-N
XLogP2.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The IUPAC name of N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide (CID 120912564) is N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide is CC(=O)N(c1nc(CN(CCN)CCc2ccccc2)cs1)C1CC1.
What is the InChIKey of N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
The InChIKey is MVSXLLZHHCNSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15(24)23(18-7-8-18)19-21-17(14-25-19)13-22(12-10-20)11-9-16-5-3-2-4-6-16/h2-6,14,18H,7-13,20H2,1H3.
What are the key properties of N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide?
N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide has a molecular weight of 358.51 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 120912564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).