N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine

C17H21Cl2N3OS — CID 7615054

IUPACN-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2c(Cl)cccc2Cl)n1CCCN1CCOCC1
InChIInChI=1S/C17H21Cl2N3OS/c1-13-12-24-17(20-16-14(18)4-2-5-15(16)19)22(13)7-3-6-21-8-10-23-11-9-21/h2,4-5,12H,3,6-11H2,1H3/b20-17-
InChIKeyXMCBWKBKFZCDFY-JZJYNLBNSA-N
MW386.35 g/mol
LogP4.12
Rot. Bonds5

About N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine

N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine (PubChem CID 7615054) has the molecular formula C17H21Cl2N3OS and a molecular weight of 386.35 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
PubChem CID7615054
Molecular FormulaC17H21Cl2N3OS
Molecular Weight386.35 g/mol
Exact Mass385.08
IUPAC NameN-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2c(Cl)cccc2Cl)n1CCCN1CCOCC1
InChIInChI=1S/C17H21Cl2N3OS/c1-13-12-24-17(20-16-14(18)4-2-5-15(16)19)22(13)7-3-6-21-8-10-23-11-9-21/h2,4-5,12H,3,6-11H2,1H3/b20-17-
InChIKeyXMCBWKBKFZCDFY-JZJYNLBNSA-N
XLogP4.12
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine (CID 7615054) is N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine is Cc1cs/c(=N\c2c(Cl)cccc2Cl)n1CCCN1CCOCC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
The InChIKey is XMCBWKBKFZCDFY-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H21Cl2N3OS/c1-13-12-24-17(20-16-14(18)4-2-5-15(16)19)22(13)7-3-6-21-8-10-23-11-9-21/h2,4-5,12H,3,6-11H2,1H3/b20-17-.
What are the key properties of N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine?
N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine has a molecular weight of 386.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 7615054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).