1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea

C12H16ClN3O2S — CID 970967

IUPAC1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea
SMILESCOc1ccc(Cl)cc1NC(=S)NN1CCOCC1
InChIInChI=1S/C12H16ClN3O2S/c1-17-11-3-2-9(13)8-10(11)14-12(19)15-16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H2,14,15,19)
InChIKeyHYYYZLKCFJTFHV-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea

1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea (PubChem CID 970967) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea
PubChem CID970967
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea
SMILESCOc1ccc(Cl)cc1NC(=S)NN1CCOCC1
InChIInChI=1S/C12H16ClN3O2S/c1-17-11-3-2-9(13)8-10(11)14-12(19)15-16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H2,14,15,19)
InChIKeyHYYYZLKCFJTFHV-UHFFFAOYSA-N
XLogP1.88
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)thiourea
CID 2732660
N-(5-chloro-2-methoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 971845
1-(5-Chloro-2-methoxyphenyl)-3-cyclopentylthiourea
CID 972567
N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide
CID 1294827
1-(5-Chloro-2-methoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 1940210
1-(5-Chloro-2-methoxyphenyl)-3-(3-methylbutanoylamino)thiourea
CID 1952210
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448
N-(5-chloro-2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 4594798
1-(5-Chloro-2-phenoxyphenyl)-3-ethylthiourea
CID 805978
1-(5-Chloro-2-methoxyphenyl)-3-(2-fluorophenyl)thiourea
CID 976599
1-(5-Chloro-2-methoxy-phenyl)-3-(3-propoxypropyl)thiourea
CID 3732550
N,N-diallyl-N'-(5-chloro-2-methoxyphenyl)thiourea
CID 970986

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea (CID 970967) is 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea is COc1ccc(Cl)cc1NC(=S)NN1CCOCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea?
The InChIKey is HYYYZLKCFJTFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2S/c1-17-11-3-2-9(13)8-10(11)14-12(19)15-16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H2,14,15,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea?
1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea has a molecular weight of 301.80 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 970967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).