N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

C18H24N2O3S — CID 96565118

IUPACN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H24N2O3S/c1-4-12(2)16(10-21)20-17(22)9-14-11-24-18(19-14)13-5-7-15(23-3)8-6-13/h5-8,11-12,16,21H,4,9-10H2,1-3H3,(H,20,22)/t12-,16+/m1/s1
InChIKeyPVHNFYBUARBSPC-WBMJQRKESA-N
MW348.47 g/mol
LogP2.88
Rot. Bonds8

About N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 96565118) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID96565118
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H24N2O3S/c1-4-12(2)16(10-21)20-17(22)9-14-11-24-18(19-14)13-5-7-15(23-3)8-6-13/h5-8,11-12,16,21H,4,9-10H2,1-3H3,(H,20,22)/t12-,16+/m1/s1
InChIKeyPVHNFYBUARBSPC-WBMJQRKESA-N
XLogP2.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 51808667
2-[[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 45369620
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 40820049
N-(1-hydroxy-3-methylbutan-2-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 71710543
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
(2S,3R)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 29131151
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370392
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 96565118) is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is CC[C@@H](C)[C@H](CO)NC(=O)Cc1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is PVHNFYBUARBSPC-WBMJQRKESA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-12(2)16(10-21)20-17(22)9-14-11-24-18(19-14)13-5-7-15(23-3)8-6-13/h5-8,11-12,16,21H,4,9-10H2,1-3H3,(H,20,22)/t12-,16+/m1/s1.
What are the key properties of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 96565118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).