1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea

C16H21N3O2S — CID 111926763

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1ccccc1-c1cnc(NC(=O)N(C)CC(C)(C)O)s1
InChIInChI=1S/C16H21N3O2S/c1-11-7-5-6-8-12(11)13-9-17-14(22-13)18-15(20)19(4)10-16(2,3)21/h5-9,21H,10H2,1-4H3,(H,17,18,20)
InChIKeyLRFJAAQPGRNGLV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 111926763) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID111926763
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1ccccc1-c1cnc(NC(=O)N(C)CC(C)(C)O)s1
InChIInChI=1S/C16H21N3O2S/c1-11-7-5-6-8-12(11)13-9-17-14(22-13)18-15(20)19(4)10-16(2,3)21/h5-9,21H,10H2,1-4H3,(H,17,18,20)
InChIKeyLRFJAAQPGRNGLV-UHFFFAOYSA-N
XLogP3.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 123487354
(E)-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enamide
CID 166223349
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(2-methyl-4-phenylsulfanylphenyl)urea
CID 111926146
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111926150
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea
CID 97223665
N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide
CID 167769093
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 87035621
5-(2-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 18506878
3-[2,6-di(propan-2-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754195
N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 569504
5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
tert-butyl N-[5-(2-carbamoylphenyl)-1,3-thiazol-2-yl]carbamate
CID 87282091

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea (CID 111926763) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea is Cc1ccccc1-c1cnc(NC(=O)N(C)CC(C)(C)O)s1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LRFJAAQPGRNGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-7-5-6-8-12(11)13-9-17-14(22-13)18-15(20)19(4)10-16(2,3)21/h5-9,21H,10H2,1-4H3,(H,17,18,20).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 319.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 111926763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).