4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride

C14H18ClN3OS — CID 18576899

IUPAC4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride
SMILESCc1cs/c(=N\c2ccccc2)n1N1CCOCC1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-12-11-19-14(15-13-5-3-2-4-6-13)17(12)16-7-9-18-10-8-16;/h2-6,11H,7-10H2,1H3;1H/b15-14-;
InChIKeyCCVOTPWTCQYEAP-BGWNKZQTSA-N
MW311.84 g/mol
LogP2.48
Rot. Bonds2

About 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride

4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride (PubChem CID 18576899) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride
PubChem CID18576899
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride
SMILESCc1cs/c(=N\c2ccccc2)n1N1CCOCC1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-12-11-19-14(15-13-5-3-2-4-6-13)17(12)16-7-9-18-10-8-16;/h2-6,11H,7-10H2,1H3;1H/b15-14-;
InChIKeyCCVOTPWTCQYEAP-BGWNKZQTSA-N
XLogP2.48
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
CID 8669894
N-(2,5-dimethylphenyl)-4-methyl-3-morpholin-4-yl-1,3-thiazol-2-imine
CID 8669893
N-(2,6-dimethylphenyl)-3-morpholin-4-yl-4-phenyl-1,3-thiazol-2-imine
CID 45143052
N,4-bis(4-chlorophenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine
CID 7304374
N-(3,4-dimethylphenyl)-4-(4-methylphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 18576866
3-benzyl-4-methyl-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45125354
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 45145106
N-(4-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
CID 7614915
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-3-morpholin-4-yl-1,3-thiazol-2-imine;hydrobromide
CID 45145142
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-propan-2-yl-1,3-thiazol-2-imine
CID 23961498
4-methyl-3-(3-methylbutyl)-N-phenyl-1,3-thiazol-2-imine
CID 56972563
4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
CID 56972572

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride?
The IUPAC name of 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride (CID 18576899) is 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride.
What is the SMILES notation for 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride?
The canonical SMILES for 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride is Cc1cs/c(=N\c2ccccc2)n1N1CCOCC1.Cl.
What is the InChIKey of 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride?
The InChIKey is CCVOTPWTCQYEAP-BGWNKZQTSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-12-11-19-14(15-13-5-3-2-4-6-13)17(12)16-7-9-18-10-8-16;/h2-6,11H,7-10H2,1H3;1H/b15-14-;.
What are the key properties of 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride?
4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-morpholin-4-yl-N-phenyl-1,3-thiazol-2-imine;hydrochloride is sourced from PubChem (CID 18576899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).