4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C15H20N2S — CID 54868716

IUPAC4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCC(C)c1ccc(NCc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2S/c1-4-11(2)13-5-7-14(8-6-13)17-10-15-9-16-12(3)18-15/h5-9,11,17H,4,10H2,1-3H3
InChIKeyVCRXKKBALTYOBO-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.58
Rot. Bonds5

About 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 54868716) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID54868716
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCC(C)c1ccc(NCc2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2S/c1-4-11(2)13-5-7-14(8-6-13)17-10-15-9-16-12(3)18-15/h5-9,11,17H,4,10H2,1-3H3
InChIKeyVCRXKKBALTYOBO-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline 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

4-butan-2-yl-N-[(5-chlorothiophen-2-yl)methyl]aniline
CID 43230074
N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 54868652
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
CID 60941068
4-butan-2-yl-N-(pyrimidin-5-ylmethyl)aniline
CID 62759149
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60937882
4-butan-2-yl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117869
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 115925127
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 54868716) is 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is CCC(C)c1ccc(NCc2cnc(C)s2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is VCRXKKBALTYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-11(2)13-5-7-14(8-6-13)17-10-15-9-16-12(3)18-15/h5-9,11,17H,4,10H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 260.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 54868716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).