5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol

C9H15NO2S — CID 106677820

IUPAC5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
SMILESCc1nc(CC(O)CCCO)cs1
InChIInChI=1S/C9H15NO2S/c1-7-10-8(6-13-7)5-9(12)3-2-4-11/h6,9,11-12H,2-5H2,1H3
InChIKeyBHIDTFHXHSLJMW-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.13
Rot. Bonds5

About 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol

5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol (PubChem CID 106677820) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
PubChem CID106677820
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
SMILESCc1nc(CC(O)CCCO)cs1
InChIInChI=1S/C9H15NO2S/c1-7-10-8(6-13-7)5-9(12)3-2-4-11/h6,9,11-12H,2-5H2,1H3
InChIKeyBHIDTFHXHSLJMW-UHFFFAOYSA-N
XLogP1.13
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
1-(1-methylpyrazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 82869603
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62800030
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol (CID 106677820) is 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol is Cc1nc(CC(O)CCCO)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol?
The InChIKey is BHIDTFHXHSLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-7-10-8(6-13-7)5-9(12)3-2-4-11/h6,9,11-12H,2-5H2,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol?
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol has a molecular weight of 201.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol is sourced from PubChem (CID 106677820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).