4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine

C8H8ClN5OS — CID 62859326

IUPAC4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2nccs2)n1
InChIInChI=1S/C8H8ClN5OS/c1-15-8-13-6(9)12-7(14-8)11-4-5-10-2-3-16-5/h2-3H,4H2,1H3,(H,11,12,13,14)
InChIKeyVXDCMVCZVFDSBQ-UHFFFAOYSA-N
MW257.71 g/mol
LogP1.60
Rot. Bonds4

About 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 62859326) has the molecular formula C8H8ClN5OS and a molecular weight of 257.71 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID62859326
Molecular FormulaC8H8ClN5OS
Molecular Weight257.71 g/mol
Exact Mass257.01
IUPAC Name4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2nccs2)n1
InChIInChI=1S/C8H8ClN5OS/c1-15-8-13-6(9)12-7(14-8)11-4-5-10-2-3-16-5/h2-3H,4H2,1H3,(H,11,12,13,14)
InChIKeyVXDCMVCZVFDSBQ-UHFFFAOYSA-N
XLogP1.60
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine (CID 62859326) is 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCc2nccs2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is VXDCMVCZVFDSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5OS/c1-15-8-13-6(9)12-7(14-8)11-4-5-10-2-3-16-5/h2-3H,4H2,1H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 257.71 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).