1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea

C15H19N3O2S — CID 111754479

IUPAC1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCN(CC(C)(C)O)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-15(2,20)10-18(3)14(19)17-12-6-4-11(5-7-12)13-16-8-9-21-13/h4-9,20H,10H2,1-3H3,(H,17,19)
InChIKeyULWRIMYSCRYOFG-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea

1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 111754479) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID111754479
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
SMILESCN(CC(C)(C)O)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-15(2,20)10-18(3)14(19)17-12-6-4-11(5-7-12)13-16-8-9-21-13/h4-9,20H,10H2,1-3H3,(H,17,19)
InChIKeyULWRIMYSCRYOFG-UHFFFAOYSA-N
XLogP3.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111754482
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 111754633
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea (CID 111754479) is 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea is CN(CC(C)(C)O)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is ULWRIMYSCRYOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,20)10-18(3)14(19)17-12-6-4-11(5-7-12)13-16-8-9-21-13/h4-9,20H,10H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea?
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.04, 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-[4-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 111754479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).