[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea

C14H14BrN3O2S — CID 6271003

IUPAC[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
SMILESCc1sc(/C=N\NC(N)=O)cc1COc1ccccc1Br
InChIInChI=1S/C14H14BrN3O2S/c1-9-10(6-11(21-9)7-17-18-14(16)19)8-20-13-5-3-2-4-12(13)15/h2-7H,8H2,1H3,(H3,16,18,19)/b17-7-
InChIKeyUHTLENFXJNNAIQ-IDUWFGFVSA-N
MW368.26 g/mol
LogP3.40
Rot. Bonds5

About [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea

[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea (PubChem CID 6271003) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
PubChem CID6271003
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
SMILESCc1sc(/C=N\NC(N)=O)cc1COc1ccccc1Br
InChIInChI=1S/C14H14BrN3O2S/c1-9-10(6-11(21-9)7-17-18-14(16)19)8-20-13-5-3-2-4-12(13)15/h2-7H,8H2,1H3,(H3,16,18,19)/b17-7-
InChIKeyUHTLENFXJNNAIQ-IDUWFGFVSA-N
XLogP3.40
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea
CID 6016603
4-[(2-bromophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 726877
N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
CID 1271118
[[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168533097
[(4-bromo-5-ethylthiophen-2-yl)methylideneamino]urea
CID 679383
[(Z)-[2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 126087766
[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 126085472
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
[(4-bromo-5-chlorothiophen-2-yl)methylideneamino]urea
CID 102844804
[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5426311
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
[(E)-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]urea
CID 19617599

Frequently Asked Questions

What is the IUPAC name of [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea?
The IUPAC name of [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea (CID 6271003) is [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea.
What is the SMILES notation for [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea?
The canonical SMILES for [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea is Cc1sc(/C=N\NC(N)=O)cc1COc1ccccc1Br.
What is the InChIKey of [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea?
The InChIKey is UHTLENFXJNNAIQ-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-9-10(6-11(21-9)7-17-18-14(16)19)8-20-13-5-3-2-4-12(13)15/h2-7H,8H2,1H3,(H3,16,18,19)/b17-7-.
What are the key properties of [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea?
[(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea has a molecular weight of 368.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]methylideneamino]urea is sourced from PubChem (CID 6271003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).