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

C14H16ClN3OS — CID 8669895

IUPACN-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2cccc(Cl)c2)n1N1CCOCC1
InChIInChI=1S/C14H16ClN3OS/c1-11-10-20-14(16-13-4-2-3-12(15)9-13)18(11)17-5-7-19-8-6-17/h2-4,9-10H,5-8H2,1H3/b16-14-
InChIKeyPEPSBGUMBVZUIH-PEZBUJJGSA-N
MW309.82 g/mol
LogP2.71
Rot. Bonds2

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

N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine (PubChem CID 8669895) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
PubChem CID8669895
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2cccc(Cl)c2)n1N1CCOCC1
InChIInChI=1S/C14H16ClN3OS/c1-11-10-20-14(16-13-4-2-3-12(15)9-13)18(11)17-5-7-19-8-6-17/h2-4,9-10H,5-8H2,1H3/b16-14-
InChIKeyPEPSBGUMBVZUIH-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

ethyl N-phenyl-4-morpholinecarbimidothioate
CID 18558755
4-(chloromethyl)-N-(3-chlorophenyl)-3-(3-methoxypropyl)-2,3-dihydro-1,3-thiazol-2-imine
CID 2396465
(E)-N-[(ethylthio)morpholinomethylene]aniline
CID 829622
N-(4-chloro-3-fluorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine
CID 4562742
(Z)-(p-chlorophenyl)(4-methyl-3-morpholino-2,3-dihydro-1,3-thiazol-2-ylidene)amine
CID 8669894
Methanimine, 1-(4-morpholino), N-(3-chlorophenyl)
CID 523937
prop-2-enyl N-phenylmorpholine-4-carboximidothioate
CID 86248595
methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate
CID 146170233
N-(4-chloro-3-fluorophenyl)-3-[(2S)-1-methoxypropan-2-yl]-4-methyl-1,3-thiazol-2-imine
CID 2392729
N-(4-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-4-methyl-1,3-thiazol-2-imine
CID 2392731
N-(4-chloro-3-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-imine
CID 23849431
4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine
CID 7294980

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine (CID 8669895) is N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2cccc(Cl)c2)n1N1CCOCC1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
The InChIKey is PEPSBGUMBVZUIH-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-11-10-20-14(16-13-4-2-3-12(15)9-13)18(11)17-5-7-19-8-6-17/h2-4,9-10H,5-8H2,1H3/b16-14-.
What are the key properties of N-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine?
N-(3-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-(3-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 8669895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).