4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one

C7H5Cl2N5OS — CID 106383057

IUPAC4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nc(Cl)nnc2Cl)cs1
InChIInChI=1S/C7H5Cl2N5OS/c8-4-5(12-6(9)14-13-4)10-1-3-2-16-7(15)11-3/h2H,1H2,(H,11,15)(H,10,12,14)
InChIKeyDCSQMIWHLMUQOM-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.54
Rot. Bonds3

About 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383057) has the molecular formula C7H5Cl2N5OS and a molecular weight of 278.12 g/mol. Its IUPAC name is 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106383057
Molecular FormulaC7H5Cl2N5OS
Molecular Weight278.12 g/mol
Exact Mass276.96
IUPAC Name4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nc(Cl)nnc2Cl)cs1
InChIInChI=1S/C7H5Cl2N5OS/c8-4-5(12-6(9)14-13-4)10-1-3-2-16-7(15)11-3/h2H,1H2,(H,11,15)(H,10,12,14)
InChIKeyDCSQMIWHLMUQOM-UHFFFAOYSA-N
XLogP1.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
4-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381978
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383043
4-[[(6-chloro-5-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181739
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
4-[[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384261
4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382210
4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181611
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
4-[[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384425
4-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384162

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106383057) is 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2nc(Cl)nnc2Cl)cs1.
What is the InChIKey of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DCSQMIWHLMUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5OS/c8-4-5(12-6(9)14-13-4)10-1-3-2-16-7(15)11-3/h2H,1H2,(H,11,15)(H,10,12,14).
What are the key properties of 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 278.12 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).