N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H17N3OS — CID 2731411

IUPACN-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc(N2CCOCC2)ccc1NC1=NCCS1
InChIInChI=1S/C13H17N3OS/c1-3-12(16-6-8-17-9-7-16)4-2-11(1)15-13-14-5-10-18-13/h1-4H,5-10H2,(H,14,15)
InChIKeyWJFNYGITGPAHLZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.04
Rot. Bonds2

About N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2731411) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2731411
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cc(N2CCOCC2)ccc1NC1=NCCS1
InChIInChI=1S/C13H17N3OS/c1-3-12(16-6-8-17-9-7-16)4-2-11(1)15-13-14-5-10-18-13/h1-4H,5-10H2,(H,14,15)
InChIKeyWJFNYGITGPAHLZ-UHFFFAOYSA-N
XLogP2.04
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.04
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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Related Compounds

4-morpholin-4-yl-N-phenylaniline
CID 159018746
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068023
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
3-methyl-N-(4-morpholin-4-ylphenyl)thiophen-2-amine
CID 174739915
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571818
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2731411) is N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is c1cc(N2CCOCC2)ccc1NC1=NCCS1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WJFNYGITGPAHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-12(16-6-8-17-9-7-16)4-2-11(1)15-13-14-5-10-18-13/h1-4H,5-10H2,(H,14,15).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2731411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).