N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

C11H18N2O2S — CID 28736462

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)NC(C)(C)CO)n1
InChIInChI=1S/C11H18N2O2S/c1-7(2)8-5-16-10(12-8)9(15)13-11(3,4)6-14/h5,7,14H,6H2,1-4H3,(H,13,15)
InChIKeyNTOMRPWMIOTQGS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.77
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 28736462) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID28736462
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)NC(C)(C)CO)n1
InChIInChI=1S/C11H18N2O2S/c1-7(2)8-5-16-10(12-8)9(15)13-11(3,4)6-14/h5,7,14H,6H2,1-4H3,(H,13,15)
InChIKeyNTOMRPWMIOTQGS-UHFFFAOYSA-N
XLogP1.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86791490
[(3R)-3-(hydroxymethyl)-4-methylpiperazin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 99928872
2-[2-hydroxyethyl(methyl)amino]-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 99940736
4-Propan-2-yl-1,3-thiazole-2-carboxamide
CID 67476674
N,4-ditert-butyl-1,3-thiazole-2-carboxamide
CID 83405568
4-(2-Hydroxyethyl)-1,3-thiazole-2-carboxamide
CID 119087825
ethane;N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 176997908
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen
CID 176998060
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
N-ethyl-4-propan-2-yl-1,3-thiazole-2-carboxamide;molecular hydrogen
CID 176998084
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43500550
N-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43500632

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 28736462) is N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)NC(C)(C)CO)n1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is NTOMRPWMIOTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)8-5-16-10(12-8)9(15)13-11(3,4)6-14/h5,7,14H,6H2,1-4H3,(H,13,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 28736462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).