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

C15H15FN2OS — CID 19210593

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C15H15FN2OS/c1-9(2)8-13(19)17-15-18-14(10(3)20-15)11-4-6-12(16)7-5-11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyYGWGJNYRDPBSCY-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.16
Rot. Bonds3

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

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide (PubChem CID 19210593) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide
PubChem CID19210593
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C15H15FN2OS/c1-9(2)8-13(19)17-15-18-14(10(3)20-15)11-4-6-12(16)7-5-11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyYGWGJNYRDPBSCY-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
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
(E)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 19212281
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
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-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide (CID 19210593) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide?
The InChIKey is YGWGJNYRDPBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-9(2)8-13(19)17-15-18-14(10(3)20-15)11-4-6-12(16)7-5-11/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide is sourced from PubChem (CID 19210593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).