N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline

C13H16N2S — CID 116965441

IUPACN-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
SMILESCNc1ccc(-c2nc(C(C)C)cs2)cc1
InChIInChI=1S/C13H16N2S/c1-9(2)12-8-16-13(15-12)10-4-6-11(14-3)7-5-10/h4-9,14H,1-3H3
InChIKeyLIMBHWVFGTZFLP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.98
Rot. Bonds3

About N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline

N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline (PubChem CID 116965441) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
PubChem CID116965441
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
SMILESCNc1ccc(-c2nc(C(C)C)cs2)cc1
InChIInChI=1S/C13H16N2S/c1-9(2)12-8-16-13(15-12)10-4-6-11(14-3)7-5-10/h4-9,14H,1-3H3
InChIKeyLIMBHWVFGTZFLP-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64543468
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
CID 116965446
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 107504219
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
The IUPAC name of N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline (CID 116965441) is N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline is CNc1ccc(-c2nc(C(C)C)cs2)cc1.
What is the InChIKey of N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
The InChIKey is LIMBHWVFGTZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)12-8-16-13(15-12)10-4-6-11(14-3)7-5-10/h4-9,14H,1-3H3.
What are the key properties of N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline has a molecular weight of 232.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 116965441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).