1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C13H17N3O3S — CID 111509364

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCc1nc(CNC(=O)NCC(O)c2ccco2)sc1C
InChIInChI=1S/C13H17N3O3S/c1-8-9(2)20-12(16-8)7-15-13(18)14-6-10(17)11-4-3-5-19-11/h3-5,10,17H,6-7H2,1-2H3,(H2,14,15,18)
InChIKeyTYRLSBRVRBPHJM-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.89
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 111509364) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID111509364
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCc1nc(CNC(=O)NCC(O)c2ccco2)sc1C
InChIInChI=1S/C13H17N3O3S/c1-8-9(2)20-12(16-8)7-15-13(18)14-6-10(17)11-4-3-5-19-11/h3-5,10,17H,6-7H2,1-2H3,(H2,14,15,18)
InChIKeyTYRLSBRVRBPHJM-UHFFFAOYSA-N
XLogP1.89
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507783
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400388
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111475859
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104425
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
CID 71989931
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111174196
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 111509364) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is Cc1nc(CNC(=O)NCC(O)c2ccco2)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is TYRLSBRVRBPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-9(2)20-12(16-8)7-15-13(18)14-6-10(17)11-4-3-5-19-11/h3-5,10,17H,6-7H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 295.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111509364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).