2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide

C19H26N2OS — CID 78863881

IUPAC2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H26N2OS/c1-14(2)11-21(12-15(3)4)19(22)17-13-23-18(20-17)10-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyWNLOMPCCEXOSAD-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.49
Rot. Bonds7

About 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide

2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 78863881) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID78863881
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H26N2OS/c1-14(2)11-21(12-15(3)4)19(22)17-13-23-18(20-17)10-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyWNLOMPCCEXOSAD-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
3-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190688
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195383
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
(2S)-2-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]-2-pyridin-3-ylacetic acid
CID 97285509
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120524228
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55670905
2-benzyl-N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 70769685

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 78863881) is 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)CN(CC(C)C)C(=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WNLOMPCCEXOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-14(2)11-21(12-15(3)4)19(22)17-13-23-18(20-17)10-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3.
What are the key properties of 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 330.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78863881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).