[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol

C10H12N4OS — CID 82221036

IUPAC[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESCc1csc(-n2nnc(CO)c2C2CC2)n1
InChIInChI=1S/C10H12N4OS/c1-6-5-16-10(11-6)14-9(7-2-3-7)8(4-15)12-13-14/h5,7,15H,2-4H2,1H3
InChIKeyTVJCUNHHOYVLFS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.40
Rot. Bonds3

About [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol

[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (PubChem CID 82221036) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
PubChem CID82221036
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESCc1csc(-n2nnc(CO)c2C2CC2)n1
InChIInChI=1S/C10H12N4OS/c1-6-5-16-10(11-6)14-9(7-2-3-7)8(4-15)12-13-14/h5,7,15H,2-4H2,1H3
InChIKeyTVJCUNHHOYVLFS-UHFFFAOYSA-N
XLogP1.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (CID 82221036) is [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is Cc1csc(-n2nnc(CO)c2C2CC2)n1.
What is the InChIKey of [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The InChIKey is TVJCUNHHOYVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-5-16-10(11-6)14-9(7-2-3-7)8(4-15)12-13-14/h5,7,15H,2-4H2,1H3.
What are the key properties of [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol has a molecular weight of 236.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82221036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).