2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 66374204

IUPAC2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-11-3-5-12(6-4-11)9-18(2)15(19)13-10-20-14(17-13)7-8-16/h3-6,10H,7-9,16H2,1-2H3
InChIKeyVOLVIIWYVRYLPY-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66374204) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66374204
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2csc(CCN)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-11-3-5-12(6-4-11)9-18(2)15(19)13-10-20-14(17-13)7-8-16/h3-6,10H,7-9,16H2,1-2H3
InChIKeyVOLVIIWYVRYLPY-UHFFFAOYSA-N
XLogP2.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
2-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66388082
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-(2-aminoethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646179
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377067
2-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618133
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46474338
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568
2-(2-aminoethyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389490

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 66374204) is 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2csc(CCN)n2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VOLVIIWYVRYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-3-5-12(6-4-11)9-18(2)15(19)13-10-20-14(17-13)7-8-16/h3-6,10H,7-9,16H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).