4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide

C14H14ClN3OS — CID 62924493

IUPAC4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H14ClN3OS/c1-8-5-11(13(19-2)7-10(8)15)18-9-3-4-17-12(6-9)14(16)20/h3-7H,1-2H3,(H2,16,20)(H,17,18)
InChIKeyIMSRUVJFCYPDAK-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.43
Rot. Bonds4

About 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide

4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide (PubChem CID 62924493) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
PubChem CID62924493
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H14ClN3OS/c1-8-5-11(13(19-2)7-10(8)15)18-9-3-4-17-12(6-9)14(16)20/h3-7H,1-2H3,(H2,16,20)(H,17,18)
InChIKeyIMSRUVJFCYPDAK-UHFFFAOYSA-N
XLogP3.43
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.43
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

4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
4-(2,4,5-trichloroanilino)pyridine-2-carbothioamide
CID 63519381
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
2-(4-chloro-2-methoxy-5-methylanilino)-4-methylbenzenecarbothioamide
CID 63513071
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222674
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
3-bromo-4-(4-chloro-2-methoxy-5-methylanilino)benzenecarbothioamide
CID 82786859
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide (CID 62924493) is 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide is COc1cc(Cl)c(C)cc1Nc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide?
The InChIKey is IMSRUVJFCYPDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-8-5-11(13(19-2)7-10(8)15)18-9-3-4-17-12(6-9)14(16)20/h3-7H,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide?
4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide has a molecular weight of 307.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 62924493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).