1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C12H15N3O2S2 — CID 111440973

IUPAC1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCC(O)c2ccsc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-8-13-4-10(19-8)5-14-12(17)15-6-11(16)9-2-3-18-7-9/h2-4,7,11,16H,5-6H2,1H3,(H2,14,15,17)
InChIKeyISFJRYVFKWMZPC-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 111440973) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID111440973
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCC(O)c2ccsc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-8-13-4-10(19-8)5-14-12(17)15-6-11(16)9-2-3-18-7-9/h2-4,7,11,16H,5-6H2,1H3,(H2,14,15,17)
InChIKeyISFJRYVFKWMZPC-UHFFFAOYSA-N
XLogP2.05
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440796
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(4-nitrophenyl)methyl]urea
CID 111440898
1-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443096
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(4-methylsulfanylbutyl)urea
CID 111441096
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
1-[(3-cyanophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440911
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111440837
1-[1-(2-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841602

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 111440973) is 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)NCC(O)c2ccsc2)s1.
What is the InChIKey of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is ISFJRYVFKWMZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-13-4-10(19-8)5-14-12(17)15-6-11(16)9-2-3-18-7-9/h2-4,7,11,16H,5-6H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 297.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 111440973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).