1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea

C14H17N3O2S — CID 111454997

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESO=C(NCc1cscn1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-7-6-13(11-4-2-1-3-5-11)17-14(19)15-8-12-9-20-10-16-12/h1-5,9-10,13,18H,6-8H2,(H2,15,17,19)/t13-/m1/s1
InChIKeySZWCSRBGZXSLCC-CYBMUJFWSA-N
MW291.38 g/mol
LogP2.07
Rot. Bonds6

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 111454997) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID111454997
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESO=C(NCc1cscn1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C14H17N3O2S/c18-7-6-13(11-4-2-1-3-5-11)17-14(19)15-8-12-9-20-10-16-12/h1-5,9-10,13,18H,6-8H2,(H2,15,17,19)/t13-/m1/s1
InChIKeySZWCSRBGZXSLCC-CYBMUJFWSA-N
XLogP2.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111455236
1-[(5-ethylthiophen-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111454522
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 63824817
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 97224466
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea (CID 111454997) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea is O=C(NCc1cscn1)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is SZWCSRBGZXSLCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-7-6-13(11-4-2-1-3-5-11)17-14(19)15-8-12-9-20-10-16-12/h1-5,9-10,13,18H,6-8H2,(H2,15,17,19)/t13-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 291.38 g/mol, XLogP of 2.07, 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-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 111454997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).