2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine

C10H12ClN5S — CID 62866681

IUPAC2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESCC(C)(C)Sc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H12ClN5S/c1-10(2,3)17-9-14-7(11)13-8(15-9)16-5-4-12-6-16/h4-6H,1-3H3
InChIKeyOARCRZCENDJEDG-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.60
Rot. Bonds2

About 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine

2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62866681) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62866681
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC Name2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESCC(C)(C)Sc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H12ClN5S/c1-10(2,3)17-9-14-7(11)13-8(15-9)16-5-4-12-6-16/h4-6H,1-3H3
InChIKeyOARCRZCENDJEDG-UHFFFAOYSA-N
XLogP2.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
methyl 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 62865450
2-chloro-4-imidazol-1-yl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine
CID 62867228
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-(4-bromopyrazol-1-yl)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62867714
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 115356878
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806
2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
CID 62865957
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 82698690

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine (CID 62866681) is 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine is CC(C)(C)Sc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is OARCRZCENDJEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-10(2,3)17-9-14-7(11)13-8(15-9)16-5-4-12-6-16/h4-6H,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 269.76 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62866681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).