1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C14H19N3O3S — CID 111104425

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NCC(O)c1ccco1)c1nc(C)cs1
InChIInChI=1S/C14H19N3O3S/c1-3-10(13-16-9(2)8-21-13)17-14(19)15-7-11(18)12-5-4-6-20-12/h4-6,8,10-11,18H,3,7H2,1-2H3,(H2,15,17,19)
InChIKeyYXAPMHPLGZMCHV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.53
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 111104425) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID111104425
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NCC(O)c1ccco1)c1nc(C)cs1
InChIInChI=1S/C14H19N3O3S/c1-3-10(13-16-9(2)8-21-13)17-14(19)15-7-11(18)12-5-4-6-20-12/h4-6,8,10-11,18H,3,7H2,1-2H3,(H2,15,17,19)
InChIKeyYXAPMHPLGZMCHV-UHFFFAOYSA-N
XLogP2.53
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 111566580
1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111475859
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95598162
3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026638
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
furan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769449
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
1-(furan-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethanol
CID 61044455
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041
1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096512
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 111104425) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)NCC(O)c1ccco1)c1nc(C)cs1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is YXAPMHPLGZMCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-10(13-16-9(2)8-21-13)17-14(19)15-7-11(18)12-5-4-6-20-12/h4-6,8,10-11,18H,3,7H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 309.39 g/mol, XLogP of 2.53, 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-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 111104425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).