(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol

C14H18N2OS — CID 111382371

IUPAC(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESCc1ccc(-c2ncc(CN[C@H](C)CO)s2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-3-5-12(6-4-10)14-16-8-13(18-14)7-15-11(2)9-17/h3-6,8,11,15,17H,7,9H2,1-2H3/t11-/m1/s1
InChIKeyDGQKVIIWMQKBOS-LLVKDONJSA-N
MW262.38 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol

(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol (PubChem CID 111382371) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
PubChem CID111382371
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESCc1ccc(-c2ncc(CN[C@H](C)CO)s2)cc1
InChIInChI=1S/C14H18N2OS/c1-10-3-5-12(6-4-10)14-16-8-13(18-14)7-15-11(2)9-17/h3-6,8,11,15,17H,7,9H2,1-2H3/t11-/m1/s1
InChIKeyDGQKVIIWMQKBOS-LLVKDONJSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol (CID 111382371) is (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol is Cc1ccc(-c2ncc(CN[C@H](C)CO)s2)cc1.
What is the InChIKey of (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The InChIKey is DGQKVIIWMQKBOS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-3-5-12(6-4-10)14-16-8-13(18-14)7-15-11(2)9-17/h3-6,8,11,15,17H,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol?
(2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol is sourced from PubChem (CID 111382371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).