4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine

C10H12ClN5OS — CID 63242631

IUPAC4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2nc(C)cs2)n1
InChIInChI=1S/C10H12ClN5OS/c1-6-5-18-7(13-6)3-4-12-9-14-8(11)15-10(16-9)17-2/h5H,3-4H2,1-2H3,(H,12,14,15,16)
InChIKeyILRGBAMFBBHDIK-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.95
Rot. Bonds5

About 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 63242631) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID63242631
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2nc(C)cs2)n1
InChIInChI=1S/C10H12ClN5OS/c1-6-5-18-7(13-6)3-4-12-9-14-8(11)15-10(16-9)17-2/h5H,3-4H2,1-2H3,(H,12,14,15,16)
InChIKeyILRGBAMFBBHDIK-UHFFFAOYSA-N
XLogP1.95
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 80689265
2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106038270
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 63242631) is 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCc2nc(C)cs2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is ILRGBAMFBBHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c1-6-5-18-7(13-6)3-4-12-9-14-8(11)15-10(16-9)17-2/h5H,3-4H2,1-2H3,(H,12,14,15,16).
What are the key properties of 4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 285.76 g/mol, XLogP of 1.95, 5 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-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63242631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).