N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H22N4O2S — CID 111485263

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C16H22N4O2S/c1-11(2)5-6-16(3,22)10-20-14(21)12-9-19-15(23-12)13-17-7-4-8-18-13/h4,7-9,11,22H,5-6,10H2,1-3H3,(H,20,21)
InChIKeyMHZLKJUOMSFNBO-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.52
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 111485263) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID111485263
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C16H22N4O2S/c1-11(2)5-6-16(3,22)10-20-14(21)12-9-19-15(23-12)13-17-7-4-8-18-13/h4,7-9,11,22H,5-6,10H2,1-3H3,(H,20,21)
InChIKeyMHZLKJUOMSFNBO-UHFFFAOYSA-N
XLogP2.52
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 75425823
N-(1-cyano-1-propylbutyl)-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxamide
CID 71848918
N-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 147075605
3-Cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 71915559
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71979692
N-[[1-(cyanomethyl)piperidin-4-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 71980199
(3S)-3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 97084937
(3R)-3-cyclopropyl-3-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 97084938
N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97590873
N-[[(1S,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97590874

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 111485263) is N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MHZLKJUOMSFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(2)5-6-16(3,22)10-20-14(21)12-9-19-15(23-12)13-17-7-4-8-18-13/h4,7-9,11,22H,5-6,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111485263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).