N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C15H12N4OS2 — CID 947718

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H12N4OS2/c20-13(10-22-14-16-7-4-8-17-14)19-15-18-12(9-21-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,20)
InChIKeyGVTSIEMFOQQITJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.33
Rot. Bonds5

About N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 947718) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID947718
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H12N4OS2/c20-13(10-22-14-16-7-4-8-17-14)19-15-18-12(9-21-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,20)
InChIKeyGVTSIEMFOQQITJ-UHFFFAOYSA-N
XLogP3.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Stf-62247
CID 704473
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
Thiazovivin
CID 46209426
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
SirReal2
CID 1096292
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
Aminothiazole 5
CID 5329387

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 947718) is N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is GVTSIEMFOQQITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS2/c20-13(10-22-14-16-7-4-8-17-14)19-15-18-12(9-21-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,20).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 328.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 947718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).