(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol

C11H16N4OS — CID 103138863

IUPAC(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2snnc2C(C)(C)C)n1
InChIInChI=1S/C11H16N4OS/c1-11(2,3)10-9(17-14-12-10)8(16)7-5-6-15(4)13-7/h5-6,8,16H,1-4H3
InChIKeyPQRIBXBOGNJDSB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.65
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol

(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol (PubChem CID 103138863) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol
PubChem CID103138863
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(C(O)c2snnc2C(C)(C)C)n1
InChIInChI=1S/C11H16N4OS/c1-11(2,3)10-9(17-14-12-10)8(16)7-5-6-15(4)13-7/h5-6,8,16H,1-4H3
InChIKeyPQRIBXBOGNJDSB-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol (CID 103138863) is (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol is Cn1ccc(C(O)c2snnc2C(C)(C)C)n1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
The InChIKey is PQRIBXBOGNJDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-11(2,3)10-9(17-14-12-10)8(16)7-5-6-15(4)13-7/h5-6,8,16H,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol?
(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol has a molecular weight of 252.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103138863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).