1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C17H23N3O2S — CID 75388669

IUPAC1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N(C)C(C)Cc2ccc(O)cc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-12(10-14-4-6-16(21)7-5-14)20(3)17(22)18-9-8-15-11-23-13(2)19-15/h4-7,11-12,21H,8-10H2,1-3H3,(H,18,22)
InChIKeyHTWDEXNQQMORJX-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.97
Rot. Bonds6

About 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 75388669) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID75388669
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)N(C)C(C)Cc2ccc(O)cc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-12(10-14-4-6-16(21)7-5-14)20(3)17(22)18-9-8-15-11-23-13(2)19-15/h4-7,11-12,21H,8-10H2,1-3H3,(H,18,22)
InChIKeyHTWDEXNQQMORJX-UHFFFAOYSA-N
XLogP2.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 125436542
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106037293
2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933606
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933931
3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213
1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea
CID 78886760
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 75388669) is 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)N(C)C(C)Cc2ccc(O)cc2)cs1.
What is the InChIKey of 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is HTWDEXNQQMORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(10-14-4-6-16(21)7-5-14)20(3)17(22)18-9-8-15-11-23-13(2)19-15/h4-7,11-12,21H,8-10H2,1-3H3,(H,18,22).
What are the key properties of 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 75388669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).