N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide

C22H19ClN4OS4 — CID 2820914

IUPACN-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide
SMILESCSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C22H19ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-7-5-4-6-14(15)23/h4-10H,11H2,1-3H3,(H,26,28)
InChIKeyNNVVKOVHRSDRSQ-UHFFFAOYSA-N
MW519.14 g/mol
LogP7.05
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2820914) has the molecular formula C22H19ClN4OS4 and a molecular weight of 519.14 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide
PubChem CID2820914
Molecular FormulaC22H19ClN4OS4
Molecular Weight519.14 g/mol
Exact Mass518.01
IUPAC NameN-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide
SMILESCSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C22H19ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-7-5-4-6-14(15)23/h4-10H,11H2,1-3H3,(H,26,28)
InChIKeyNNVVKOVHRSDRSQ-UHFFFAOYSA-N
XLogP7.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.14
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide (CID 2820914) is N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide is CSc1sc(-c2nc(C)cs2)c(C)c1-c1ccnc(SCC(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is NNVVKOVHRSDRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS4/c1-12-10-30-20(25-12)19-13(2)18(21(29-3)32-19)16-8-9-24-22(27-16)31-11-17(28)26-15-7-5-4-6-14(15)23/h4-10H,11H2,1-3H3,(H,26,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 519.14 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2820914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).