N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline

C15H18ClN3OS — CID 168579906

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
SMILESCc1cc(N2CCOCC2)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-11-8-12(19-4-6-20-7-5-19)2-3-14(11)17-9-13-10-18-15(16)21-13/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeySCIRYRUEMZIZEC-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.55
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline (PubChem CID 168579906) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
PubChem CID168579906
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline
SMILESCc1cc(N2CCOCC2)ccc1NCc1cnc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-11-8-12(19-4-6-20-7-5-19)2-3-14(11)17-9-13-10-18-15(16)21-13/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeySCIRYRUEMZIZEC-UHFFFAOYSA-N
XLogP3.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline (CID 168579906) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline is Cc1cc(N2CCOCC2)ccc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline?
The InChIKey is SCIRYRUEMZIZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-11-8-12(19-4-6-20-7-5-19)2-3-14(11)17-9-13-10-18-15(16)21-13/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline has a molecular weight of 323.85 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 168579906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).