1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C16H23N3O3S — CID 111480767

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(CCCNC(=O)NCC(C)(O)c2ccc(C)o2)n1
InChIInChI=1S/C16H23N3O3S/c1-11-9-23-14(19-11)5-4-8-17-15(20)18-10-16(3,21)13-7-6-12(2)22-13/h6-7,9,21H,4-5,8,10H2,1-3H3,(H2,17,18,20)
InChIKeyZAQMKIAPVUAGNH-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.49
Rot. Bonds7

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 111480767) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID111480767
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(CCCNC(=O)NCC(C)(O)c2ccc(C)o2)n1
InChIInChI=1S/C16H23N3O3S/c1-11-9-23-14(19-11)5-4-8-17-15(20)18-10-16(3,21)13-7-6-12(2)22-13/h6-7,9,21H,4-5,8,10H2,1-3H3,(H2,17,18,20)
InChIKeyZAQMKIAPVUAGNH-UHFFFAOYSA-N
XLogP2.49
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 96518481
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 96518723
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479494
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111482880
2-(4-methoxyphenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110446423
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
2-(4-aminophenyl)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 110451544
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 111481518
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 111480767) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc(CCCNC(=O)NCC(C)(O)c2ccc(C)o2)n1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is ZAQMKIAPVUAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11-9-23-14(19-11)5-4-8-17-15(20)18-10-16(3,21)13-7-6-12(2)22-13/h6-7,9,21H,4-5,8,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 337.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111480767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).