3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide

C14H16FN3OS — CID 133371380

IUPAC3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(-c2ccc(F)cc2)cs1)C(N)=O
InChIInChI=1S/C14H16FN3OS/c1-14(2,12(16)19)8-17-13-18-11(7-20-13)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyFCZNOSTZMKJVRU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.87
Rot. Bonds5

About 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide (PubChem CID 133371380) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
PubChem CID133371380
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(-c2ccc(F)cc2)cs1)C(N)=O
InChIInChI=1S/C14H16FN3OS/c1-14(2,12(16)19)8-17-13-18-11(7-20-13)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyFCZNOSTZMKJVRU-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371930
2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 13177617
4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide (CID 133371380) is 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc(-c2ccc(F)cc2)cs1)C(N)=O.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide?
The InChIKey is FCZNOSTZMKJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-14(2,12(16)19)8-17-13-18-11(7-20-13)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide?
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 133371380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).