[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol

C6H8ClFN2OS — CID 126989041

IUPAC[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(NCCF)nc1Cl
InChIInChI=1S/C6H8ClFN2OS/c7-5-4(3-11)12-6(10-5)9-2-1-8/h11H,1-3H2,(H,9,10)
InChIKeyBEGBKXQFGOARKB-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.67
Rot. Bonds4

About [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 126989041) has the molecular formula C6H8ClFN2OS and a molecular weight of 210.66 g/mol. Its IUPAC name is [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol
PubChem CID126989041
Molecular FormulaC6H8ClFN2OS
Molecular Weight210.66 g/mol
Exact Mass210.00
IUPAC Name[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(NCCF)nc1Cl
InChIInChI=1S/C6H8ClFN2OS/c7-5-4(3-11)12-6(10-5)9-2-1-8/h11H,1-3H2,(H,9,10)
InChIKeyBEGBKXQFGOARKB-UHFFFAOYSA-N
XLogP1.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]butan-2-ol
CID 130683338
[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
CID 130735058
[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
CID 130735722
(2-tert-butylsulfanyl-4-chloro-1,3-thiazol-5-yl)methanol
CID 80692827
[4-chloro-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80693436
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
CID 130580815
[4-chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
methyl 4-chloro-2-[(2,2-difluoro-3-hydroxypropyl)amino]-1,3-thiazole-5-carboxylate
CID 104858522
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692897
3-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-ol
CID 107772316

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol (CID 126989041) is [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol is OCc1sc(NCCF)nc1Cl.
What is the InChIKey of [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is BEGBKXQFGOARKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN2OS/c7-5-4(3-11)12-6(10-5)9-2-1-8/h11H,1-3H2,(H,9,10).
What are the key properties of [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 210.66 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 126989041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).