5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine

C14H16ClN3OS — CID 120899965

IUPAC5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCOC(c3ccccc3Cl)C2)s1
InChIInChI=1S/C14H16ClN3OS/c15-12-4-2-1-3-11(12)13-9-18(5-6-19-13)8-10-7-17-14(16)20-10/h1-4,7,13H,5-6,8-9H2,(H2,16,17)
InChIKeyXAIWHLBTUVVTSG-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.95
Rot. Bonds3

About 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120899965) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120899965
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCOC(c3ccccc3Cl)C2)s1
InChIInChI=1S/C14H16ClN3OS/c15-12-4-2-1-3-11(12)13-9-18(5-6-19-13)8-10-7-17-14(16)20-10/h1-4,7,13H,5-6,8-9H2,(H2,16,17)
InChIKeyXAIWHLBTUVVTSG-UHFFFAOYSA-N
XLogP2.95
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120903354
5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899753
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
CID 120900283
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903805
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine (CID 120899965) is 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCOC(c3ccccc3Cl)C2)s1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is XAIWHLBTUVVTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-12-4-2-1-3-11(12)13-9-18(5-6-19-13)8-10-7-17-14(16)20-10/h1-4,7,13H,5-6,8-9H2,(H2,16,17).
What are the key properties of 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 309.82 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).