1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea

C14H17N3O2S — CID 111119591

IUPAC1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NCc1cscn1
InChIInChI=1S/C14H17N3O2S/c1-10-4-2-3-5-12(10)13(18)7-16-14(19)15-6-11-8-20-9-17-11/h2-5,8-9,13,18H,6-7H2,1H3,(H2,15,16,19)
InChIKeyDYIQZQKGLOMRFU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 111119591) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID111119591
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCc1ccccc1C(O)CNC(=O)NCc1cscn1
InChIInChI=1S/C14H17N3O2S/c1-10-4-2-3-5-12(10)13(18)7-16-14(19)15-6-11-8-20-9-17-11/h2-5,8-9,13,18H,6-7H2,1H3,(H2,15,16,19)
InChIKeyDYIQZQKGLOMRFU-UHFFFAOYSA-N
XLogP1.98
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111450585
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111483103
1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 111338339
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea (CID 111119591) is 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea is Cc1ccccc1C(O)CNC(=O)NCc1cscn1.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is DYIQZQKGLOMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-2-3-5-12(10)13(18)7-16-14(19)15-6-11-8-20-9-17-11/h2-5,8-9,13,18H,6-7H2,1H3,(H2,15,16,19).
What are the key properties of 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea?
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 291.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 111119591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).