N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine

C14H16ClN3OS — CID 8669894

IUPACN-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(Cl)cc2)n1N1CCOCC1
InChIInChI=1S/C14H16ClN3OS/c1-11-10-20-14(16-13-4-2-12(15)3-5-13)18(11)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3/b16-14-
InChIKeyWWCASPCRTIGZHG-PEZBUJJGSA-N
MW309.82 g/mol
LogP2.71
Rot. Bonds2

About N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine

N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine (PubChem CID 8669894) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
PubChem CID8669894
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2ccc(Cl)cc2)n1N1CCOCC1
InChIInChI=1S/C14H16ClN3OS/c1-11-10-20-14(16-13-4-2-12(15)3-5-13)18(11)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3/b16-14-
InChIKeyWWCASPCRTIGZHG-PEZBUJJGSA-N
XLogP2.71
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride
CID 18576899
N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
CID 7304374
N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
CID 8669893
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 45145106
N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 18576866
N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23913461
ethyl 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]acetate
CID 7303173
4-(4-chlorophenyl)-N-(4-ethylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392799
N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine
CID 45143052
4-(4-chlorophenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392708
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
CID 23961498
N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795654

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine (CID 8669894) is N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2ccc(Cl)cc2)n1N1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The InChIKey is WWCASPCRTIGZHG-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-11-10-20-14(16-13-4-2-12(15)3-5-13)18(11)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3/b16-14-.
What are the key properties of N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine has a molecular weight of 309.82 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 8669894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).