1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C15H19N3O2S — CID 111455236

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-11-14(21-10-17-11)9-16-15(20)18-13(7-8-19)12-5-3-2-4-6-12/h2-6,10,13,19H,7-9H2,1H3,(H2,16,18,20)/t13-/m1/s1
InChIKeyUVRULWQZWHKCRH-CYBMUJFWSA-N
MW305.40 g/mol
LogP2.37
Rot. Bonds6

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 111455236) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID111455236
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-11-14(21-10-17-11)9-16-15(20)18-13(7-8-19)12-5-3-2-4-6-12/h2-6,10,13,19H,7-9H2,1H3,(H2,16,18,20)/t13-/m1/s1
InChIKeyUVRULWQZWHKCRH-CYBMUJFWSA-N
XLogP2.37
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 109389967
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 96518675
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
(2S)-3-hydroxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 63283721
1-[(5-ethylthiophen-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111454522
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 107839922
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 111455236) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is UVRULWQZWHKCRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-14(21-10-17-11)9-16-15(20)18-13(7-8-19)12-5-3-2-4-6-12/h2-6,10,13,19H,7-9H2,1H3,(H2,16,18,20)/t13-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 305.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 111455236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).