4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole

C10H14N4S2 — CID 139771267

IUPAC4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
SMILESCc1nc(C(C)(C)C)c(Sc2ncn[nH]2)s1
InChIInChI=1S/C10H14N4S2/c1-6-13-7(10(2,3)4)8(15-6)16-9-11-5-12-14-9/h5H,1-4H3,(H,11,12,14)
InChIKeyTUGYLBRGUUYCKA-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.02
Rot. Bonds2

About 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole

4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole (PubChem CID 139771267) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
PubChem CID139771267
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole
SMILESCc1nc(C(C)(C)C)c(Sc2ncn[nH]2)s1
InChIInChI=1S/C10H14N4S2/c1-6-13-7(10(2,3)4)8(15-6)16-9-11-5-12-14-9/h5H,1-4H3,(H,11,12,14)
InChIKeyTUGYLBRGUUYCKA-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole (CID 139771267) is 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole is Cc1nc(C(C)(C)C)c(Sc2ncn[nH]2)s1.
What is the InChIKey of 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
The InChIKey is TUGYLBRGUUYCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-6-13-7(10(2,3)4)8(15-6)16-9-11-5-12-14-9/h5H,1-4H3,(H,11,12,14).
What are the key properties of 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole?
4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole has a molecular weight of 254.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 139771267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).