N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide

C21H14Cl2N4OS2 — CID 2744814

IUPACN-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(-c2csc(-c3ccccc3)n2)n1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H14Cl2N4OS2/c22-14-8-15(23)10-16(9-14)25-19(28)12-30-21-24-7-6-17(27-21)18-11-29-20(26-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28)
InChIKeyLILOEJREEQFTPM-UHFFFAOYSA-N
MW473.41 g/mol
LogP6.30
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide

N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2744814) has the molecular formula C21H14Cl2N4OS2 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID2744814
Molecular FormulaC21H14Cl2N4OS2
Molecular Weight473.41 g/mol
Exact Mass472.00
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccc(-c2csc(-c3ccccc3)n2)n1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H14Cl2N4OS2/c22-14-8-15(23)10-16(9-14)25-19(28)12-30-21-24-7-6-17(27-21)18-11-29-20(26-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28)
InChIKeyLILOEJREEQFTPM-UHFFFAOYSA-N
XLogP6.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 6539282
2-(2-Aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide
CID 76072859
N-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-yl)cyclopropanecarboxamide
CID 56953110
N-[4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972289
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
2-[(3,5-dichloropyridin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10048470
N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methylthiazol-2-yl)-3-thienyl]pyrimidin-2-yl]sulfanyl-acetamide
CID 2820914
N-[4-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 972726
N-(5-chloro-2-pyridinyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 15945146
2-[2-[(3-chlorophenyl)carbamoylamino]thiazol-4-yl]-N-(3-pyridylmethyl)acetamide
CID 18567616
5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(2,4-dimethylthiazol-5-yl)pyrimidin-2-amine
CID 44431451
3-(3,5-Dichloro-4-pyridinyl)-1-[3-(diethylamino)propyl]-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
CID 44530394

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide (CID 2744814) is N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide is O=C(CSc1nccc(-c2csc(-c3ccccc3)n2)n1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is LILOEJREEQFTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4OS2/c22-14-8-15(23)10-16(9-14)25-19(28)12-30-21-24-7-6-17(27-21)18-11-29-20(26-18)13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide?
N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 473.41 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2744814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).