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

C22H25N3OS — CID 120884822

IUPACN-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C22H25N3OS/c1-17-21(27-20(24-17)16-19-10-6-3-7-11-19)22(26)25(15-13-23)14-12-18-8-4-2-5-9-18/h2-11H,12-16,23H2,1H3
InChIKeyBTAJAEDFNAGNJT-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.69
Rot. Bonds8

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

N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 120884822) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
PubChem CID120884822
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C22H25N3OS/c1-17-21(27-20(24-17)16-19-10-6-3-7-11-19)22(26)25(15-13-23)14-12-18-8-4-2-5-9-18/h2-11H,12-16,23H2,1H3
InChIKeyBTAJAEDFNAGNJT-UHFFFAOYSA-N
XLogP3.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120885918
N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 55669656
2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55668344
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 112817351
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide (CID 120884822) is N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BTAJAEDFNAGNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-17-21(27-20(24-17)16-19-10-6-3-7-11-19)22(26)25(15-13-23)14-12-18-8-4-2-5-9-18/h2-11H,12-16,23H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide?
N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120884822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).