2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol

C16H22N2OS — CID 97031304

IUPAC2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
SMILESCC(C)(C)c1csc([C@@H](NCCO)c2ccccc2)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)13-11-20-15(18-13)14(17-9-10-19)12-7-5-4-6-8-12/h4-8,11,14,17,19H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyDZMAXRKFFQPEGQ-AWEZNQCLSA-N
MW290.43 g/mol
LogP3.11
Rot. Bonds5

About 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol

2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol (PubChem CID 97031304) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
PubChem CID97031304
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
SMILESCC(C)(C)c1csc([C@@H](NCCO)c2ccccc2)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)13-11-20-15(18-13)14(17-9-10-19)12-7-5-4-6-8-12/h4-8,11,14,17,19H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyDZMAXRKFFQPEGQ-AWEZNQCLSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 75512742
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 61331627
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
CID 61333653
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 61331630
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 106531768
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 114488399
2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 61332341

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol?
The IUPAC name of 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol (CID 97031304) is 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol.
What is the SMILES notation for 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol?
The canonical SMILES for 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol is CC(C)(C)c1csc([C@@H](NCCO)c2ccccc2)n1.
What is the InChIKey of 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol?
The InChIKey is DZMAXRKFFQPEGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)13-11-20-15(18-13)14(17-9-10-19)12-7-5-4-6-8-12/h4-8,11,14,17,19H,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol?
2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol has a molecular weight of 290.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol is sourced from PubChem (CID 97031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).