2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol

C12H13ClN2OS — CID 14100762

IUPAC2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol
SMILESCNc1nc(-c2ccc(Cl)cc2)c(CCO)s1
InChIInChI=1S/C12H13ClN2OS/c1-14-12-15-11(10(17-12)6-7-16)8-2-4-9(13)5-3-8/h2-5,16H,6-7H2,1H3,(H,14,15)
InChIKeyNTQYTMFDGFPIGQ-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol

2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol (PubChem CID 14100762) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol
PubChem CID14100762
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol
SMILESCNc1nc(-c2ccc(Cl)cc2)c(CCO)s1
InChIInChI=1S/C12H13ClN2OS/c1-14-12-15-11(10(17-12)6-7-16)8-2-4-9(13)5-3-8/h2-5,16H,6-7H2,1H3,(H,14,15)
InChIKeyNTQYTMFDGFPIGQ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol (CID 14100762) is 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol is CNc1nc(-c2ccc(Cl)cc2)c(CCO)s1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol?
The InChIKey is NTQYTMFDGFPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-14-12-15-11(10(17-12)6-7-16)8-2-4-9(13)5-3-8/h2-5,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol?
2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol has a molecular weight of 268.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 14100762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).