[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol

C10H13N3OS2 — CID 63813411

IUPAC[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol
SMILESCc1csc(Sc2c(CO)c(C)nn2C)n1
InChIInChI=1S/C10H13N3OS2/c1-6-5-15-10(11-6)16-9-8(4-14)7(2)12-13(9)3/h5,14H,4H2,1-3H3
InChIKeyYHZRBYFXKDNCRZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.14
Rot. Bonds3

About [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol (PubChem CID 63813411) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol
PubChem CID63813411
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol
SMILESCc1csc(Sc2c(CO)c(C)nn2C)n1
InChIInChI=1S/C10H13N3OS2/c1-6-5-15-10(11-6)16-9-8(4-14)7(2)12-13(9)3/h5,14H,4H2,1-3H3
InChIKeyYHZRBYFXKDNCRZ-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol (CID 63813411) is [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol is Cc1csc(Sc2c(CO)c(C)nn2C)n1.
What is the InChIKey of [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol?
The InChIKey is YHZRBYFXKDNCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-6-5-15-10(11-6)16-9-8(4-14)7(2)12-13(9)3/h5,14H,4H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol has a molecular weight of 255.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 63813411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).