N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C15H18FN3O2S — CID 17458228

IUPACN-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOCC(C)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1
InChIInChI=1S/C15H18FN3O2S/c1-9(7-21-3)17-15-19-14(8-22-15)12-5-4-11(6-13(12)16)18-10(2)20/h4-6,8-9H,7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXKPWBRMXSWUOEA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.35
Rot. Bonds6

About N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 17458228) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID17458228
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCOCC(C)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1
InChIInChI=1S/C15H18FN3O2S/c1-9(7-21-3)17-15-19-14(8-22-15)12-5-4-11(6-13(12)16)18-10(2)20/h4-6,8-9H,7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXKPWBRMXSWUOEA-UHFFFAOYSA-N
XLogP3.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 46519571
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878537
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18272030
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24556479
N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 8750419
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 17458228) is N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is COCC(C)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1.
What is the InChIKey of N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is XKPWBRMXSWUOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-9(7-21-3)17-15-19-14(8-22-15)12-5-4-11(6-13(12)16)18-10(2)20/h4-6,8-9H,7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 323.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 17458228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).