4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol

C11H17ClN2O3S — CID 171894560

IUPAC4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol
SMILESOC(CCCl)C(O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H17ClN2O3S/c12-2-1-9(15)10(16)8-7-18-11(13-8)14-3-5-17-6-4-14/h7,9-10,15-16H,1-6H2
InChIKeyQPKXDPJKJMMVNB-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.00
Rot. Bonds5

About 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol

4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol (PubChem CID 171894560) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol
PubChem CID171894560
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol
SMILESOC(CCCl)C(O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H17ClN2O3S/c12-2-1-9(15)10(16)8-7-18-11(13-8)14-3-5-17-6-4-14/h7,9-10,15-16H,1-6H2
InChIKeyQPKXDPJKJMMVNB-UHFFFAOYSA-N
XLogP1.00
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide
CID 171899934
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate
CID 171887393
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378
4-[4-(4-chlorobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170499858
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64543603
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 169478013
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol
CID 135171523
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)oxan-4-amine
CID 114275536
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-ynenitrile
CID 170475542
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol?
The IUPAC name of 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol (CID 171894560) is 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol.
What is the SMILES notation for 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol?
The canonical SMILES for 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol is OC(CCCl)C(O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol?
The InChIKey is QPKXDPJKJMMVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c12-2-1-9(15)10(16)8-7-18-11(13-8)14-3-5-17-6-4-14/h7,9-10,15-16H,1-6H2.
What are the key properties of 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol?
4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol has a molecular weight of 292.79 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol is sourced from PubChem (CID 171894560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).