(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol

C16H22N2OS — CID 111449969

IUPAC(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)c1nc(CN[C@H](CCO)c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-12(2)16-18-14(11-20-16)10-17-15(8-9-19)13-6-4-3-5-7-13/h3-7,11-12,15,17,19H,8-10H2,1-2H3/t15-/m1/s1
InChIKeyURTCUAKWJGRPQS-OAHLLOKOSA-N
MW290.43 g/mol
LogP3.48
Rot. Bonds7

About (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol

(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol (PubChem CID 111449969) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
PubChem CID111449969
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
SMILESCC(C)c1nc(CN[C@H](CCO)c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-12(2)16-18-14(11-20-16)10-17-15(8-9-19)13-6-4-3-5-7-13/h3-7,11-12,15,17,19H,8-10H2,1-2H3/t15-/m1/s1
InChIKeyURTCUAKWJGRPQS-OAHLLOKOSA-N
XLogP3.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol with MolForge

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Related Compounds

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate
CID 62109656
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
CID 115589570
(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 100697175
1-(4-hydroxy-2-methylbutyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111506024
N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38900998
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115589690
(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
CID 111467271

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol (CID 111449969) is (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol is CC(C)c1nc(CN[C@H](CCO)c2ccccc2)cs1.
What is the InChIKey of (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
The InChIKey is URTCUAKWJGRPQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(2)16-18-14(11-20-16)10-17-15(8-9-19)13-6-4-3-5-7-13/h3-7,11-12,15,17,19H,8-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol?
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 111449969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).