2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol

C12H13ClN2OS — CID 107125175

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1ncc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c1-8-4-2-3-5-9(8)15-10(7-16)12-14-6-11(13)17-12/h2-6,10,15-16H,7H2,1H3
InChIKeyJNGGQBVMNWHELY-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.25
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol

2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol (PubChem CID 107125175) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol
PubChem CID107125175
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1ncc(Cl)s1
InChIInChI=1S/C12H13ClN2OS/c1-8-4-2-3-5-9(8)15-10(7-16)12-14-6-11(13)17-12/h2-6,10,15-16H,7H2,1H3
InChIKeyJNGGQBVMNWHELY-UHFFFAOYSA-N
XLogP3.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[[3-(dimethylamino)-2-methylanilino]methyl]-1,3-thiazol-5-yl]ethanol
CID 124853931
[2-(1-Aminoethyl)-1,3-thiazol-5-yl]-[4-(2-methoxyethylamino)-3-(trifluoromethyl)anilino]methanol
CID 129211862
N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 64482717
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 64485374
5-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988726
4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988777
3-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990848
2-(4-Fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044
2-(3-Fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991208
2-(2-Fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991258
2-(3-Fluoro-5-methylanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 79050014
2-(4-Fluoroanilino)-2-(1,3-thiazol-2-yl)ethanol
CID 104078128

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol (CID 107125175) is 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol is Cc1ccccc1NC(CO)c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol?
The InChIKey is JNGGQBVMNWHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-8-4-2-3-5-9(8)15-10(7-16)12-14-6-11(13)17-12/h2-6,10,15-16H,7H2,1H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol?
2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol has a molecular weight of 268.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-2-(2-methylanilino)ethanol is sourced from PubChem (CID 107125175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).