N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H20N2O2S — CID 75498491

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8-10(17-7-13-8)11(16)14-9(5-6-15)12(2,3)4/h7,9,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyRCXPNDKQRYZEAN-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.98
Rot. Bonds4

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 75498491) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID75498491
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C12H20N2O2S/c1-8-10(17-7-13-8)11(16)14-9(5-6-15)12(2,3)4/h7,9,15H,5-6H2,1-4H3,(H,14,16)
InChIKeyRCXPNDKQRYZEAN-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 75498491) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RCXPNDKQRYZEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-10(17-7-13-8)11(16)14-9(5-6-15)12(2,3)4/h7,9,15H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75498491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).