4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde

C7H8ClNO3S — CID 80688373

IUPAC4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(OCCCO)nc1Cl
InChIInChI=1S/C7H8ClNO3S/c8-6-5(4-11)13-7(9-6)12-3-1-2-10/h4,10H,1-3H2
InChIKeyQPYHTMCLBDKWOB-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.37
Rot. Bonds5

About 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 80688373) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID80688373
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(OCCCO)nc1Cl
InChIInChI=1S/C7H8ClNO3S/c8-6-5(4-11)13-7(9-6)12-3-1-2-10/h4,10H,1-3H2
InChIKeyQPYHTMCLBDKWOB-UHFFFAOYSA-N
XLogP1.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
CID 1488672
4-Chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 33777885
2-Bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CID 15141968
4-Chloro-2-methyl-1,3-thiazole-5-carbaldehyde
CID 21052312
4-Chloro-2-iodo-1,3-thiazole-5-carbaldehyde
CID 137935417
4-Chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 15665808
4-Chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687180
4-Chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687721
4-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 80688457
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 82006061
4-Chloro-2-(4,4,4-trifluorobutoxy)-1,3-thiazole-5-carbaldehyde
CID 82788093
4-Chloro-2-(3,3,3-trifluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 82955888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde (CID 80688373) is 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(OCCCO)nc1Cl.
What is the InChIKey of 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is QPYHTMCLBDKWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-6-5(4-11)13-7(9-6)12-3-1-2-10/h4,10H,1-3H2.
What are the key properties of 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 221.66 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-hydroxypropoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).