(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol

C16H22N2OS — CID 164638240

IUPAC(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol
SMILESCc1nc(C)c(CNC[C@@](C)(CO)c2ccccc2)s1
InChIInChI=1S/C16H22N2OS/c1-12-15(20-13(2)18-12)9-17-10-16(3,11-19)14-7-5-4-6-8-14/h4-8,17,19H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyCUNFKMOSYNAWFX-INIZCTEOSA-N
MW290.43 g/mol
LogP2.80
Rot. Bonds6

About (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol

(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol (PubChem CID 164638240) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol
PubChem CID164638240
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol
SMILESCc1nc(C)c(CNC[C@@](C)(CO)c2ccccc2)s1
InChIInChI=1S/C16H22N2OS/c1-12-15(20-13(2)18-12)9-17-10-16(3,11-19)14-7-5-4-6-8-14/h4-8,17,19H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyCUNFKMOSYNAWFX-INIZCTEOSA-N
XLogP2.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol?
The IUPAC name of (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol (CID 164638240) is (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol.
What is the SMILES notation for (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol?
The canonical SMILES for (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol is Cc1nc(C)c(CNC[C@@](C)(CO)c2ccccc2)s1.
What is the InChIKey of (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol?
The InChIKey is CUNFKMOSYNAWFX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-15(20-13(2)18-12)9-17-10-16(3,11-19)14-7-5-4-6-8-14/h4-8,17,19H,9-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol?
(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methyl-2-phenylpropan-1-ol is sourced from PubChem (CID 164638240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).