(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol

C18H20N2O2S — CID 52537591

IUPAC(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol
SMILESCc1ccc(-c2nc(CN(C[C@@H](C)O)c3ccccc3)cs2)o1
InChIInChI=1S/C18H20N2O2S/c1-13(21)10-20(16-6-4-3-5-7-16)11-15-12-23-18(19-15)17-9-8-14(2)22-17/h3-9,12-13,21H,10-11H2,1-2H3/t13-/m1/s1
InChIKeySINSEOBHZUCXOG-CYBMUJFWSA-N
MW328.44 g/mol
LogP4.10
Rot. Bonds6

About (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol

(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol (PubChem CID 52537591) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol
PubChem CID52537591
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol
SMILESCc1ccc(-c2nc(CN(C[C@@H](C)O)c3ccccc3)cs2)o1
InChIInChI=1S/C18H20N2O2S/c1-13(21)10-20(16-6-4-3-5-7-16)11-15-12-23-18(19-15)17-9-8-14(2)22-17/h3-9,12-13,21H,10-11H2,1-2H3/t13-/m1/s1
InChIKeySINSEOBHZUCXOG-CYBMUJFWSA-N
XLogP4.10
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol with MolForge

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Related Compounds

2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
CID 47395660
(2R)-1-[N-[(4-methyl-1,3-thiazol-2-yl)methyl]anilino]propan-2-ol
CID 124508201
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 51114822
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 86929371
(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
CID 94140396
N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 86929464
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089095
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967
2-(5-methylfuran-2-yl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole
CID 46445342

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol?
The IUPAC name of (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol (CID 52537591) is (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol is Cc1ccc(-c2nc(CN(C[C@@H](C)O)c3ccccc3)cs2)o1.
What is the InChIKey of (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol?
The InChIKey is SINSEOBHZUCXOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(21)10-20(16-6-4-3-5-7-16)11-15-12-23-18(19-15)17-9-8-14(2)22-17/h3-9,12-13,21H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol?
(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol has a molecular weight of 328.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 52537591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).