4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide

C18H25N3OS — CID 37218056

IUPAC4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H25N3OS/c1-18(2,3)17-20-15(12-23-17)11-21(5)10-13-6-8-14(9-7-13)16(22)19-4/h6-9,12H,10-11H2,1-5H3,(H,19,22)
InChIKeyNZPQSTSEWZXLIB-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.43
Rot. Bonds5

About 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide

4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 37218056) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID37218056
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2csc(C(C)(C)C)n2)cc1
InChIInChI=1S/C18H25N3OS/c1-18(2,3)17-20-15(12-23-17)11-21(5)10-13-6-8-14(9-7-13)16(22)19-4/h6-9,12H,10-11H2,1-5H3,(H,19,22)
InChIKeyNZPQSTSEWZXLIB-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 51078859
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]benzoic acid
CID 120509449
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
4-[[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 55912584
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetic acid
CID 60839641
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 134058321
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide (CID 37218056) is 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)Cc2csc(C(C)(C)C)n2)cc1.
What is the InChIKey of 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is NZPQSTSEWZXLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-18(2,3)17-20-15(12-23-17)11-21(5)10-13-6-8-14(9-7-13)16(22)19-4/h6-9,12H,10-11H2,1-5H3,(H,19,22).
What are the key properties of 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide?
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 331.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37218056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).