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

C17H24N2OS — CID 111489135

IUPAC3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCCCc1nc(CN(C)C(CCO)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-3-7-17-18-15(13-21-17)12-19(2)16(10-11-20)14-8-5-4-6-9-14/h4-6,8-9,13,16,20H,3,7,10-12H2,1-2H3
InChIKeyIUWVWIJMSGIEPE-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.65
Rot. Bonds8

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

3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol (PubChem CID 111489135) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
PubChem CID111489135
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCCCc1nc(CN(C)C(CCO)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-3-7-17-18-15(13-21-17)12-19(2)16(10-11-20)14-8-5-4-6-9-14/h4-6,8-9,13,16,20H,3,7,10-12H2,1-2H3
InChIKeyIUWVWIJMSGIEPE-UHFFFAOYSA-N
XLogP3.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
(1S)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51728144
(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51728146
2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 62015413
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
CID 134052869
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489158
(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51952845
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113339721

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol (CID 111489135) is 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol is CCCc1nc(CN(C)C(CCO)c2ccccc2)cs1.
What is the InChIKey of 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol?
The InChIKey is IUWVWIJMSGIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-7-17-18-15(13-21-17)12-19(2)16(10-11-20)14-8-5-4-6-9-14/h4-6,8-9,13,16,20H,3,7,10-12H2,1-2H3.
What are the key properties of 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol?
3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 111489135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).