N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

C20H20F2N2OS — CID 5065233

IUPACN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H20F2N2OS/c21-14-1-2-15(16(22)6-14)17-10-26-19(23-17)24-18(25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,23,24,25)
InChIKeyHIUOSBCSEKQGOC-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.24
Rot. Bonds3

About N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (PubChem CID 5065233) has the molecular formula C20H20F2N2OS and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
PubChem CID5065233
Molecular FormulaC20H20F2N2OS
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H20F2N2OS/c21-14-1-2-15(16(22)6-14)17-10-26-19(23-17)24-18(25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,23,24,25)
InChIKeyHIUOSBCSEKQGOC-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-bromoadamantane-1-carboxamide
CID 55461350
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
(5R,7R)-3-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 98277662
N-(2-amino-4-fluorophenyl)adamantane-1-carboxamide
CID 16773628
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2165576
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 4577236
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (CID 5065233) is N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2F)cs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is HIUOSBCSEKQGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2OS/c21-14-1-2-15(16(22)6-14)17-10-26-19(23-17)24-18(25)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,10-13H,3-5,7-9H2,(H,23,24,25).
What are the key properties of N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 5065233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).