1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C13H17N3O3S — CID 111507783

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCC(O)c2ccco2)s1
InChIInChI=1S/C13H17N3O3S/c1-9-7-15-12(20-9)4-5-14-13(18)16-8-10(17)11-3-2-6-19-11/h2-3,6-7,10,17H,4-5,8H2,1H3,(H2,14,16,18)
InChIKeyWIIGLSAHCZIQKK-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.62
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111507783) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111507783
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCC(O)c2ccco2)s1
InChIInChI=1S/C13H17N3O3S/c1-9-7-15-12(20-9)4-5-14-13(18)16-8-10(17)11-3-2-6-19-11/h2-3,6-7,10,17H,4-5,8H2,1H3,(H2,14,16,18)
InChIKeyWIIGLSAHCZIQKK-UHFFFAOYSA-N
XLogP1.62
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97008326
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868469
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111533271
1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 99634846

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111507783) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NCC(O)c2ccco2)s1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is WIIGLSAHCZIQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-7-15-12(20-9)4-5-14-13(18)16-8-10(17)11-3-2-6-19-11/h2-3,6-7,10,17H,4-5,8H2,1H3,(H2,14,16,18).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 295.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111507783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).