methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate

C10H7ClN2O2S2 — CID 60844575

IUPACmethyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2ccccn2)nc1Cl
InChIInChI=1S/C10H7ClN2O2S2/c1-15-9(14)7-8(11)13-10(17-7)16-6-4-2-3-5-12-6/h2-5H,1H3
InChIKeyOYUBXTCDTAPSBR-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.13
Rot. Bonds3

About methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate (PubChem CID 60844575) has the molecular formula C10H7ClN2O2S2 and a molecular weight of 286.77 g/mol. Its IUPAC name is methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate
PubChem CID60844575
Molecular FormulaC10H7ClN2O2S2
Molecular Weight286.77 g/mol
Exact Mass285.96
IUPAC Namemethyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Sc2ccccn2)nc1Cl
InChIInChI=1S/C10H7ClN2O2S2/c1-15-9(14)7-8(11)13-10(17-7)16-6-4-2-3-5-12-6/h2-5H,1H3
InChIKeyOYUBXTCDTAPSBR-UHFFFAOYSA-N
XLogP3.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-(1H-imidazol-2-ylsulfanyl)-1,3-thiazole-5-carboxylate
CID 103894594
methyl 2-(4-acetamidophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 60844924
methyl 2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 62803555
methyl 4-chloro-2-(3,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carboxylate
CID 60844923
methyl 4-chloro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylate
CID 115383148
methyl 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 55070538
methyl 2-[[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4-chloro-1,3-thiazole-5-carboxylate
CID 133428900
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
CID 63649663
methyl 4-chloro-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole-5-carboxylate
CID 133427296
methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 133426606
methyl 4-chloro-2-(oxetan-3-ylsulfanyl)-1,3-thiazole-5-carboxylate
CID 79325850
methyl 4-chloro-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylate
CID 133426789

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate (CID 60844575) is methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Sc2ccccn2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate?
The InChIKey is OYUBXTCDTAPSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S2/c1-15-9(14)7-8(11)13-10(17-7)16-6-4-2-3-5-12-6/h2-5H,1H3.
What are the key properties of methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate has a molecular weight of 286.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 60844575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).