2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole

C7H5ClN4OS2 — CID 62859542

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESCOc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C7H5ClN4OS2/c1-13-5-10-4(8)11-6(12-5)15-7-9-2-3-14-7/h2-3H,1H3
InChIKeyBNHGHSBBDBFTCE-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.14
Rot. Bonds3

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (PubChem CID 62859542) has the molecular formula C7H5ClN4OS2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
PubChem CID62859542
Molecular FormulaC7H5ClN4OS2
Molecular Weight260.73 g/mol
Exact Mass259.96
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESCOc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C7H5ClN4OS2/c1-13-5-10-4(8)11-6(12-5)15-7-9-2-3-14-7/h2-3H,1H3
InChIKeyBNHGHSBBDBFTCE-UHFFFAOYSA-N
XLogP2.14
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
CID 14772206
1,3-Thiazole;1,3,5-triazine
CID 70508566
2-N,2-N-dimethyl-6-(1,3-thiazol-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 47069795
2-[(4-Chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 55125244
2-[4-(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 62858819
2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859083
4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
CID 62859326
2-[(4-Chloro-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62866164
4-chloro-N,N-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 62866519
4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 62866701
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62870803
4-(1,3-Thiazol-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 71670302

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (CID 62859542) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is COc1nc(Cl)nc(Sc2nccs2)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The InChIKey is BNHGHSBBDBFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS2/c1-13-5-10-4(8)11-6(12-5)15-7-9-2-3-14-7/h2-3H,1H3.
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole has a molecular weight of 260.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 62859542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).