2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

C14H16FN3OS — CID 119266982

IUPAC2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1sc(NC(=O)C(C)(C)N)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-8-11(9-4-6-10(15)7-5-9)17-13(20-8)18-12(19)14(2,3)16/h4-7H,16H2,1-3H3,(H,17,18,19)
InChIKeyHOLBXABTLHGXEV-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.93
Rot. Bonds3

About 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 119266982) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID119266982
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1sc(NC(=O)C(C)(C)N)nc1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3OS/c1-8-11(9-4-6-10(15)7-5-9)17-13(20-8)18-12(19)14(2,3)16/h4-7H,16H2,1-3H3,(H,17,18,19)
InChIKeyHOLBXABTLHGXEV-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19210593
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 60529474
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
1-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119266987
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 119266982) is 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1sc(NC(=O)C(C)(C)N)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is HOLBXABTLHGXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-8-11(9-4-6-10(15)7-5-9)17-13(20-8)18-12(19)14(2,3)16/h4-7H,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 119266982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).