N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H18N2O4S — CID 166350644

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)s1
InChIInChI=1S/C12H18N2O4S/c1-6-4-13-10(19-6)3-9(16)14-8-2-7(5-15)11(17)12(8)18/h4,7-8,11-12,15,17-18H,2-3,5H2,1H3,(H,14,16)/t7-,8-,11-,12+/m1/s1
InChIKeyVXGSJLOQBKJPSV-VNOQCFOKSA-N
MW286.35 g/mol
LogP-0.79
Rot. Bonds4

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 166350644) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID166350644
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)s1
InChIInChI=1S/C12H18N2O4S/c1-6-4-13-10(19-6)3-9(16)14-8-2-7(5-15)11(17)12(8)18/h4,7-8,11-12,15,17-18H,2-3,5H2,1H3,(H,14,16)/t7-,8-,11-,12+/m1/s1
InChIKeyVXGSJLOQBKJPSV-VNOQCFOKSA-N
XLogP-0.79
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111631178
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
CID 75529486
3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol
CID 162881127
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 138003509
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 166350680
benzyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 58570898
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 166368260
(1R,2S,3S,4R,6R)-4-(2-ethylanilino)-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 59867302
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111508356
2-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-2-phenylpropanamide
CID 138996384
(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 75529441
N-cyclopropyl-2-[(5-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 131107656

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 166350644) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)s1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VXGSJLOQBKJPSV-VNOQCFOKSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-6-4-13-10(19-6)3-9(16)14-8-2-7(5-15)11(17)12(8)18/h4,7-8,11-12,15,17-18H,2-3,5H2,1H3,(H,14,16)/t7-,8-,11-,12+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 286.35 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 166350644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).