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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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).