4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine

C16H14ClN5OS — CID 135795531

IUPAC4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(Cl)c(/C=N/Nc2ccccn2)s1
InChIInChI=1S/C16H14ClN5OS/c1-23-12-7-3-2-6-11(12)20-16-21-15(17)13(24-16)10-19-22-14-8-4-5-9-18-14/h2-10H,1H3,(H,18,22)(H,20,21)/b19-10+
InChIKeyQFVFSDBGQFQKSQ-VXLYETTFSA-N
MW359.84 g/mol
LogP4.39
Rot. Bonds6

About 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine

4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine (PubChem CID 135795531) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine
PubChem CID135795531
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(Cl)c(/C=N/Nc2ccccn2)s1
InChIInChI=1S/C16H14ClN5OS/c1-23-12-7-3-2-6-11(12)20-16-21-15(17)13(24-16)10-19-22-14-8-4-5-9-18-14/h2-10H,1H3,(H,18,22)(H,20,21)/b19-10+
InChIKeyQFVFSDBGQFQKSQ-VXLYETTFSA-N
XLogP4.39
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

tert-butyl N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]carbamate
CID 135795523
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-4-ethylbenzamide
CID 135795600
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6146230
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 9121741
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(1-methylimidazol-2-yl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976179
N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842527
N-[(5-chloro-3-methyl-1-benzothiophen-2-yl)methylideneamino]pyridin-2-amine
CID 2824312
N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110842528
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976692

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine (CID 135795531) is 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine is COc1ccccc1Nc1nc(Cl)c(/C=N/Nc2ccccn2)s1.
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine?
The InChIKey is QFVFSDBGQFQKSQ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-23-12-7-3-2-6-11(12)20-16-21-15(17)13(24-16)10-19-22-14-8-4-5-9-18-14/h2-10H,1H3,(H,18,22)(H,20,21)/b19-10+.
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine?
4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine has a molecular weight of 359.84 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 135795531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).