(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol

C16H22N2OS — CID 124758426

IUPAC(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
SMILESCc1nc(CCN(C)CC[C@@H](O)c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-13-17-15(12-20-13)8-10-18(2)11-9-16(19)14-6-4-3-5-7-14/h3-7,12,16,19H,8-11H2,1-2H3/t16-/m1/s1
InChIKeyYOZSEXPPPOJLGB-MRXNPFEDSA-N
MW290.43 g/mol
LogP3.05
Rot. Bonds7

About (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol

(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol (PubChem CID 124758426) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
PubChem CID124758426
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
SMILESCc1nc(CCN(C)CC[C@@H](O)c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-13-17-15(12-20-13)8-10-18(2)11-9-16(19)14-6-4-3-5-7-14/h3-7,12,16,19H,8-11H2,1-2H3/t16-/m1/s1
InChIKeyYOZSEXPPPOJLGB-MRXNPFEDSA-N
XLogP3.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
4-(2-methyl-1,3-thiazol-4-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024225
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylpropane-1,3-diamine
CID 106052557
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699763
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol (CID 124758426) is (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol is Cc1nc(CCN(C)CC[C@@H](O)c2ccccc2)cs1.
What is the InChIKey of (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol?
The InChIKey is YOZSEXPPPOJLGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13-17-15(12-20-13)8-10-18(2)11-9-16(19)14-6-4-3-5-7-14/h3-7,12,16,19H,8-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol?
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 124758426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).