CID 118023868

C20H13F5KN4O3S2 — CID 118023868

IUPAC—
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)csc2n(C)c1=O.[K]
InChIInChI=1S/C20H13F5N4O3S2.K/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25;/h3-4,6-7H,5H2,1-2H3,(H,26,27,30);
InChIKeyZROMZAGVBVNUBJ-UHFFFAOYSA-N
MW555.57 g/mol
LogP3.52
Rot. Bonds4

About CID 118023868

CID 118023868 (PubChem CID 118023868) has the molecular formula C20H13F5KN4O3S2 and a molecular weight of 555.57 g/mol.

Molecular Properties

Compound NameCID 118023868
PubChem CID118023868
Molecular FormulaC20H13F5KN4O3S2
Molecular Weight555.57 g/mol
Exact Mass555.00
IUPAC Name—
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)csc2n(C)c1=O.[K]
InChIInChI=1S/C20H13F5N4O3S2.K/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25;/h3-4,6-7H,5H2,1-2H3,(H,26,27,30);
InChIKeyZROMZAGVBVNUBJ-UHFFFAOYSA-N
XLogP3.52
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1Z)-N-[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)ethanimidate
CID 140599848
N-[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetamide;S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate
CID 71484899
N-[4-[2,3-difluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
CID 44594710
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 58046585
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53390111
2-[2-[[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methyl-6-(methylamino)benzamide
CID 162586877
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetamide
CID 89028073
N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918029
N-[4-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetamide
CID 46926860
[4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-2-[2-(1,3-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetyl]imino-1,3-thiazol-3-yl]methyl 2-methylpropanoate
CID 67972223
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 44595699
4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-N-[2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetyl]-1,3-thiazol-2-amine oxide
CID 163756757

Frequently Asked Questions

What is the IUPAC name of CID 118023868?
The IUPAC name of CID 118023868 (CID 118023868) is not available.
What is the SMILES notation for CID 118023868?
The canonical SMILES for CID 118023868 is Cn1c(=O)c2c(CC(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4F)cs3)csc2n(C)c1=O.[K].
What is the InChIKey of CID 118023868?
The InChIKey is ZROMZAGVBVNUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O3S2.K/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25;/h3-4,6-7H,5H2,1-2H3,(H,26,27,30);.
What are the key properties of CID 118023868?
CID 118023868 has a molecular weight of 555.57 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118023868 is sourced from PubChem (CID 118023868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).