(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol

C16H19N3OS — CID 104922935

IUPAC(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1nc2sccn2c1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-12-15(19-7-8-21-16(19)18-12)10-17-14(11-20)9-13-5-3-2-4-6-13/h2-8,14,17,20H,9-11H2,1H3/t14-/m1/s1
InChIKeyKTIDJXUXVJAVAX-CQSZACIVSA-N
MW301.41 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922935) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922935
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
SMILESCc1nc2sccn2c1CN[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-12-15(19-7-8-21-16(19)18-12)10-17-14(11-20)9-13-5-3-2-4-6-13/h2-8,14,17,20H,9-11H2,1H3/t14-/m1/s1
InChIKeyKTIDJXUXVJAVAX-CQSZACIVSA-N
XLogP2.40
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
CID 61245388
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
CID 113376077
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
N-[2-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]thiophen-3-yl]acetamide
CID 107860731
N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63805227
(2R)-2-[(3-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922908
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60913625
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
CID 63261332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol (CID 104922935) is (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol is Cc1nc2sccn2c1CN[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is KTIDJXUXVJAVAX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-15(19-7-8-21-16(19)18-12)10-17-14(11-20)9-13-5-3-2-4-6-13/h2-8,14,17,20H,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 301.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).