1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

C10H14Cl2N2O2S — CID 122134751

IUPAC1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-2-7(5-15)14-10(16)13-4-6-3-8(11)17-9(6)12/h3,7,15H,2,4-5H2,1H3,(H2,13,14,16)/t7-/m1/s1
InChIKeyJJDIRZJBLBEIGA-SSDOTTSWSA-N
MW297.21 g/mol
LogP2.62
Rot. Bonds5

About 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 122134751) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID122134751
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-2-7(5-15)14-10(16)13-4-6-3-8(11)17-9(6)12/h3,7,15H,2,4-5H2,1H3,(H2,13,14,16)/t7-/m1/s1
InChIKeyJJDIRZJBLBEIGA-SSDOTTSWSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)methyl]-3-(hydroxymethyl)-3,4-dimethylpyrrolidine-1-carboxamide
CID 136553109
1-[(4-Chlorothiophen-3-yl)methyl]-1-(2-hydroxyethyl)-3-methylurea
CID 141010373
1-[(4-Chlorothiophen-3-yl)methyl]-3-(2-hydroxyethyl)urea
CID 141010392
2-[(2,5-Dichlorothiophen-3-yl)methylamino]propan-1-ol
CID 107961535
1-(1-Hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea
CID 110892400
1-[(2S)-1-hydroxypropan-2-yl]-3-(thiophen-3-ylmethyl)urea
CID 112311815
1-[(2,5-Dichlorothiophen-3-yl)methyl]-3-methylurea
CID 126991906
1-[(2,5-Dichlorothiophen-3-yl)methyl]-3-ethylurea
CID 130681676
3-[(2,5-dichlorothiophen-3-yl)methyl]-1-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-1-methylurea
CID 154796041

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 122134751) is 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is CC[C@H](CO)NC(=O)NCc1cc(Cl)sc1Cl.
What is the InChIKey of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is JJDIRZJBLBEIGA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-2-7(5-15)14-10(16)13-4-6-3-8(11)17-9(6)12/h3,7,15H,2,4-5H2,1H3,(H2,13,14,16)/t7-/m1/s1.
What are the key properties of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 297.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 122134751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).