1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea

C14H14ClN3OS — CID 100607030

IUPAC1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
SMILESCOc1cccnc1NC(=S)NCc1ccccc1Cl
InChIInChI=1S/C14H14ClN3OS/c1-19-12-7-4-8-16-13(12)18-14(20)17-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3,(H2,16,17,18,20)
InChIKeyRLUOWJZRQARRKZ-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.23
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea

1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea (PubChem CID 100607030) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
PubChem CID100607030
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
SMILESCOc1cccnc1NC(=S)NCc1ccccc1Cl
InChIInChI=1S/C14H14ClN3OS/c1-19-12-7-4-8-16-13(12)18-14(20)17-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3,(H2,16,17,18,20)
InChIKeyRLUOWJZRQARRKZ-UHFFFAOYSA-N
XLogP3.23
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-2-pyridinyl)-3-[(2,3,4-trimethoxyphenyl)methyl]thiourea
CID 100667189
1-(3-chloro-2-pyridinyl)-3-[2-(2,6-dimethoxyphenyl)ethyl]thiourea
CID 19703713
1-(3-methoxy-2-pyridinyl)-3-(3-naphthalen-1-ylpropyl)thiourea
CID 100757431
1-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)thiourea
CID 800738
1-[(3,4-diethoxyphenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea
CID 100667911
1-(2,3-dichlorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649544
1-(2-benzylbutyl)-3-(3-methoxy-2-pyridinyl)thiourea
CID 133154672
1-[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100563212
1-[2-(2-chlorophenyl)ethyl]-3-(3-chloropyrazin-2-yl)thiourea
CID 19704090
2-(2-chlorophenoxy)-N-(3-methoxy-2-pyridinyl)propanamide
CID 51107977
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
CID 11379829
1-[2-(2-chlorophenoxy)ethyl]-3-(8-methoxyquinolin-5-yl)thiourea
CID 100750159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea (CID 100607030) is 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea is COc1cccnc1NC(=S)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea?
The InChIKey is RLUOWJZRQARRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-19-12-7-4-8-16-13(12)18-14(20)17-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea?
1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea has a molecular weight of 307.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(3-methoxy-2-pyridinyl)thiourea is sourced from PubChem (CID 100607030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).