1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one

C14H16N2OS — CID 116575765

IUPAC1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2csc(N)n2)cc1C
InChIInChI=1S/C14H16N2OS/c1-9-3-4-11(5-10(9)2)6-13(17)7-12-8-18-14(15)16-12/h3-5,8H,6-7H2,1-2H3,(H2,15,16)
InChIKeyNUYTYWQWBHXABO-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.70
Rot. Bonds4

About 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one

1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one (PubChem CID 116575765) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
PubChem CID116575765
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2csc(N)n2)cc1C
InChIInChI=1S/C14H16N2OS/c1-9-3-4-11(5-10(9)2)6-13(17)7-12-8-18-14(15)16-12/h3-5,8H,6-7H2,1-2H3,(H2,15,16)
InChIKeyNUYTYWQWBHXABO-UHFFFAOYSA-N
XLogP2.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)-3-(2-methylphenyl)propan-2-one
CID 116575731
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
1-(2-amino-1,3-thiazol-4-yl)-3-quinolin-2-ylpropan-2-one
CID 116575844
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64773333
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
1-(2-amino-1,3-thiazol-4-yl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-one
CID 116575717

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one (CID 116575765) is 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2csc(N)n2)cc1C.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one?
The InChIKey is NUYTYWQWBHXABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-3-4-11(5-10(9)2)6-13(17)7-12-8-18-14(15)16-12/h3-5,8H,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one is sourced from PubChem (CID 116575765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).