N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide

C20H28N4O2S — CID 87917273

IUPACN-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(Nc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)26-24(14-25)12-15-7-9-16(10-8-15)22-19-23-18(13-27-19)17-6-4-5-11-21-17/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,22,23)
InChIKeyBFVNONDIOBPFBL-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.36
Rot. Bonds7

About N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide

N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide (PubChem CID 87917273) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide
PubChem CID87917273
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide
SMILESCC(C)(C)ON(C=O)CC1CCC(Nc2nc(-c3ccccn3)cs2)CC1
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)26-24(14-25)12-15-7-9-16(10-8-15)22-19-23-18(13-27-19)17-6-4-5-11-21-17/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,22,23)
InChIKeyBFVNONDIOBPFBL-UHFFFAOYSA-N
XLogP4.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-pyridin-2-ylmethyl-oxalamide
CID 2870880
1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10590030
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 972499
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
N-(4-methylphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amine
CID 746602
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
CID 1092458
N-(4-(4-(2-(Ethylamino)-4-methylthiazol-5-yl)pyrimidin-2-ylamino)benzyl)acetamide
CID 11646645
2-[5-(Diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
CID 20647089
1-Benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 53492329
1-[1-(3-Fluorophenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405115

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide (CID 87917273) is N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide is CC(C)(C)ON(C=O)CC1CCC(Nc2nc(-c3ccccn3)cs2)CC1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide?
The InChIKey is BFVNONDIOBPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-20(2,3)26-24(14-25)12-15-7-9-16(10-8-15)22-19-23-18(13-27-19)17-6-4-5-11-21-17/h4-6,11,13-16H,7-10,12H2,1-3H3,(H,22,23).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide?
N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide has a molecular weight of 388.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]cyclohexyl]methyl]formamide is sourced from PubChem (CID 87917273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).