3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol

C8H13ClN2O2S — CID 130683338

IUPAC3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)Nc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H13ClN2O2S/c1-4(5(2)13)10-8-11-7(9)6(3-12)14-8/h4-5,12-13H,3H2,1-2H3,(H,10,11)
InChIKeyGMVWJODZOKLJHL-UHFFFAOYSA-N
MW236.72 g/mol
LogP1.47
Rot. Bonds4

About 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol

3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol (PubChem CID 130683338) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
PubChem CID130683338
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
SMILESCC(O)C(C)Nc1nc(Cl)c(CO)s1
InChIInChI=1S/C8H13ClN2O2S/c1-4(5(2)13)10-8-11-7(9)6(3-12)14-8/h4-5,12-13H,3H2,1-2H3,(H,10,11)
InChIKeyGMVWJODZOKLJHL-UHFFFAOYSA-N
XLogP1.47
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol with MolForge

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Related Compounds

[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
CID 130735058
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
CID 107772316
[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol
CID 126989041
(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80692827
[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
CID 130735722
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812
methyl 4-chloro-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 60844910
[4-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-5-yl]methanol
CID 80693639
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 106594979
[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol?
The IUPAC name of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol (CID 130683338) is 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol.
What is the SMILES notation for 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol?
The canonical SMILES for 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol is CC(O)C(C)Nc1nc(Cl)c(CO)s1.
What is the InChIKey of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol?
The InChIKey is GMVWJODZOKLJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S/c1-4(5(2)13)10-8-11-7(9)6(3-12)14-8/h4-5,12-13H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol?
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol has a molecular weight of 236.72 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol is sourced from PubChem (CID 130683338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).