(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol

C14H18N2OS — CID 124508201

IUPAC(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
SMILESCc1csc(CN(C[C@@H](C)O)c2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-11-10-18-14(15-11)9-16(8-12(2)17)13-6-4-3-5-7-13/h3-7,10,12,17H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOUQDXTAHVRJFSC-GFCCVEGCSA-N
MW262.38 g/mol
LogP2.84
Rot. Bonds5

About (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol

(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol (PubChem CID 124508201) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
PubChem CID124508201
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
SMILESCc1csc(CN(C[C@@H](C)O)c2ccccc2)n1
InChIInChI=1S/C14H18N2OS/c1-11-10-18-14(15-11)9-16(8-12(2)17)13-6-4-3-5-7-13/h3-7,10,12,17H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyOUQDXTAHVRJFSC-GFCCVEGCSA-N
XLogP2.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol?
The IUPAC name of (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol (CID 124508201) is (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol is Cc1csc(CN(C[C@@H](C)O)c2ccccc2)n1.
What is the InChIKey of (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol?
The InChIKey is OUQDXTAHVRJFSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-10-18-14(15-11)9-16(8-12(2)17)13-6-4-3-5-7-13/h3-7,10,12,17H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol?
(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol has a molecular weight of 262.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol is sourced from PubChem (CID 124508201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).