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

C15H20N4OS — CID 115377305

IUPAC2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C(C)N)n2)cc1N(C)C
InChIInChI=1S/C15H20N4OS/c1-9-5-6-11(7-13(9)19(3)4)17-14(20)12-8-21-15(18-12)10(2)16/h5-8,10H,16H2,1-4H3,(H,17,20)
InChIKeyWSNPWHVZYLZYHO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.79
Rot. Bonds4

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

2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 115377305) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
PubChem CID115377305
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C(C)N)n2)cc1N(C)C
InChIInChI=1S/C15H20N4OS/c1-9-5-6-11(7-13(9)19(3)4)17-14(20)12-8-21-15(18-12)10(2)16/h5-8,10H,16H2,1-4H3,(H,17,20)
InChIKeyWSNPWHVZYLZYHO-UHFFFAOYSA-N
XLogP2.79
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide (CID 115377305) is 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(C(C)N)n2)cc1N(C)C.
What is the InChIKey of 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WSNPWHVZYLZYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-5-6-11(7-13(9)19(3)4)17-14(20)12-8-21-15(18-12)10(2)16/h5-8,10H,16H2,1-4H3,(H,17,20).
What are the key properties of 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 115377305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).