N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C20H19FN2O2S — CID 46066518

IUPACN-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1cccc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H19FN2O2S/c1-13(2)25-17-5-3-4-15(10-17)20-23-18(12-26-20)19(24)22-11-14-6-8-16(21)9-7-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)
InChIKeyDZURVSZUUCNBGU-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.67
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066518) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066518
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1cccc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)c1
InChIInChI=1S/C20H19FN2O2S/c1-13(2)25-17-5-3-4-15(10-17)20-23-18(12-26-20)19(24)22-11-14-6-8-16(21)9-7-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)
InChIKeyDZURVSZUUCNBGU-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472610
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
2-(2''-(Trifluoromethoxy)biphenyl-3-yl)thiazole-4-carboxamide
CID 11187635
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
2-(Methoxycarbonyl(3-((2-(4-(trifluoromethyl)phenyl)thiazol-4-yl)methoxy)benzyl)amino)acetic acid
CID 24875337
2-(Methoxycarbonyl(3-((2-p-tolylthiazol-4-yl)methoxy)benzyl)amino)acetic acid
CID 46889020

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066518) is N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1cccc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DZURVSZUUCNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13(2)25-17-5-3-4-15(10-17)20-23-18(12-26-20)19(24)22-11-14-6-8-16(21)9-7-14/h3-10,12-13H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).