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

C14H17Cl2N3OS — CID 120898548

IUPAC5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCOC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C14H16ClN3OS.ClH/c15-11-3-1-10(2-4-11)13-9-18(5-6-19-13)8-12-7-17-14(16)20-12;/h1-4,7,13H,5-6,8-9H2,(H2,16,17);1H
InChIKeyRYBSSJRXCQUWAT-UHFFFAOYSA-N
MW346.28 g/mol
LogP3.37
Rot. Bonds3

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

5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898548) has the molecular formula C14H17Cl2N3OS and a molecular weight of 346.28 g/mol. Its IUPAC name is 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898548
Molecular FormulaC14H17Cl2N3OS
Molecular Weight346.28 g/mol
Exact Mass345.05
IUPAC Name5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCOC(c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C14H16ClN3OS.ClH/c15-11-3-1-10(2-4-11)13-9-18(5-6-19-13)8-12-7-17-14(16)20-12;/h1-4,7,13H,5-6,8-9H2,(H2,16,17);1H
InChIKeyRYBSSJRXCQUWAT-UHFFFAOYSA-N
XLogP3.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899753
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120900764
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898548) is 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCOC(c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is RYBSSJRXCQUWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS.ClH/c15-11-3-1-10(2-4-11)13-9-18(5-6-19-13)8-12-7-17-14(16)20-12;/h1-4,7,13H,5-6,8-9H2,(H2,16,17);1H.
What are the key properties of 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 346.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).