N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

C20H23N3O2S — CID 120885918

IUPACN-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(CCN)CCc3ccccc3)s2)o1
InChIInChI=1S/C20H23N3O2S/c1-14-8-9-17(25-14)19-22-15(2)18(26-19)20(24)23(13-11-21)12-10-16-6-4-3-5-7-16/h3-9H,10-13,21H2,1-2H3
InChIKeyWHNUALDUHDOJCD-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.66
Rot. Bonds7

About N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide

N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 120885918) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID120885918
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N(CCN)CCc3ccccc3)s2)o1
InChIInChI=1S/C20H23N3O2S/c1-14-8-9-17(25-14)19-22-15(2)18(26-19)20(24)23(13-11-21)12-10-16-6-4-3-5-7-16/h3-9H,10-13,21H2,1-2H3
InChIKeyWHNUALDUHDOJCD-UHFFFAOYSA-N
XLogP3.66
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120884822
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
4-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 38488519
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
2-benzyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119233508
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
N-benzyl-4-methyl-2-(5-methylfuran-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 56501633
N-cyclopentyl-N-ethyl-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 71896501
N,4-dimethyl-2-(5-methylfuran-2-yl)-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 55881727
N-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 55677853

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (CID 120885918) is N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N(CCN)CCc3ccccc3)s2)o1.
What is the InChIKey of N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WHNUALDUHDOJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-8-9-17(25-14)19-22-15(2)18(26-19)20(24)23(13-11-21)12-10-16-6-4-3-5-7-16/h3-9H,10-13,21H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120885918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).