1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea

C16H23N3O3S — CID 111480762

IUPAC1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)c1nc(CCNC(=O)NCC(C)(O)c2ccco2)cs1
InChIInChI=1S/C16H23N3O3S/c1-11(2)14-19-12(9-23-14)6-7-17-15(20)18-10-16(3,21)13-5-4-8-22-13/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H2,17,18,20)
InChIKeyATZXFVQYKYIGNP-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.61
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 111480762) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID111480762
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)c1nc(CCNC(=O)NCC(C)(O)c2ccco2)cs1
InChIInChI=1S/C16H23N3O3S/c1-11(2)14-19-12(9-23-14)6-7-17-15(20)18-10-16(3,21)13-5-4-8-22-13/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H2,17,18,20)
InChIKeyATZXFVQYKYIGNP-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111479543
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 96518481
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111354218
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110937929
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 111976952
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-prop-2-enylsulfanylethyl)urea
CID 111480757

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (CID 111480762) is 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is CC(C)c1nc(CCNC(=O)NCC(C)(O)c2ccco2)cs1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is ATZXFVQYKYIGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-11(2)14-19-12(9-23-14)6-7-17-15(20)18-10-16(3,21)13-5-4-8-22-13/h4-5,8-9,11,21H,6-7,10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 337.45 g/mol, XLogP of 2.61, 7 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-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 111480762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).