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

C13H16N2S — CID 28682074

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
SMILESCc1nc(-c2ccc(NC(C)C)cc2)cs1
InChIInChI=1S/C13H16N2S/c1-9(2)14-12-6-4-11(5-7-12)13-8-16-10(3)15-13/h4-9,14H,1-3H3
InChIKeyFHERPTQPDLKIPL-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.94
Rot. Bonds3

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

4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline (PubChem CID 28682074) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
PubChem CID28682074
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
SMILESCc1nc(-c2ccc(NC(C)C)cc2)cs1
InChIInChI=1S/C13H16N2S/c1-9(2)14-12-6-4-11(5-7-12)13-8-16-10(3)15-13/h4-9,14H,1-3H3
InChIKeyFHERPTQPDLKIPL-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
CID 43205876
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43147203
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 47018344
2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
CID 47019877
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline (CID 28682074) is 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline is Cc1nc(-c2ccc(NC(C)C)cc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline?
The InChIKey is FHERPTQPDLKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)14-12-6-4-11(5-7-12)13-8-16-10(3)15-13/h4-9,14H,1-3H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline?
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline has a molecular weight of 232.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 28682074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).