2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H27N3OS — CID 50974193

IUPAC2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(C(C)C)cc1)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C19H27N3OS/c1-6-22(11-15-7-9-16(10-8-15)14(2)3)19(23)17-13-24-18(20-17)12-21(4)5/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyGPFJOMOJLAFJHP-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.99
Rot. Bonds7

About 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 50974193) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID50974193
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(C(C)C)cc1)C(=O)c1csc(CN(C)C)n1
InChIInChI=1S/C19H27N3OS/c1-6-22(11-15-7-9-16(10-8-15)14(2)3)19(23)17-13-24-18(20-17)12-21(4)5/h7-10,13-14H,6,11-12H2,1-5H3
InChIKeyGPFJOMOJLAFJHP-UHFFFAOYSA-N
XLogP3.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 50974193) is 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide is CCN(Cc1ccc(C(C)C)cc1)C(=O)c1csc(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GPFJOMOJLAFJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-6-22(11-15-7-9-16(10-8-15)14(2)3)19(23)17-13-24-18(20-17)12-21(4)5/h7-10,13-14H,6,11-12H2,1-5H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50974193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).