N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H17ClF3N3OS — CID 118218682

IUPACN-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)CN(c1ccccc1Cl)CC2
InChIInChI=1S/C21H17ClF3N3OS/c22-15-3-1-2-4-17(15)28-10-9-16-18(12-28)30-20(26-16)27-19(29)11-13-5-7-14(8-6-13)21(23,24)25/h1-8H,9-12H2,(H,26,27,29)
InChIKeyIDSQEABRHDWJAP-UHFFFAOYSA-N
MW451.90 g/mol
LogP5.56
Rot. Bonds4

About N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 118218682) has the molecular formula C21H17ClF3N3OS and a molecular weight of 451.90 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID118218682
Molecular FormulaC21H17ClF3N3OS
Molecular Weight451.90 g/mol
Exact Mass451.07
IUPAC NameN-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)CN(c1ccccc1Cl)CC2
InChIInChI=1S/C21H17ClF3N3OS/c22-15-3-1-2-4-17(15)28-10-9-16-18(12-28)30-20(26-16)27-19(29)11-13-5-7-14(8-6-13)21(23,24)25/h1-8H,9-12H2,(H,26,27,29)
InChIKeyIDSQEABRHDWJAP-UHFFFAOYSA-N
XLogP5.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.90
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118218726
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528592
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526706
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794
2-(2,6-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 29412832
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532216
tert-butyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 46603613
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8850262

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 118218682) is N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)CN(c1ccccc1Cl)CC2.
What is the InChIKey of N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IDSQEABRHDWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N3OS/c22-15-3-1-2-4-17(15)28-10-9-16-18(12-28)30-20(26-16)27-19(29)11-13-5-7-14(8-6-13)21(23,24)25/h1-8H,9-12H2,(H,26,27,29).
What are the key properties of N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 451.90 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 118218682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).