5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine

C12H14N4OS — CID 70053658

IUPAC5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(C3CNCCO3)cc2)s1
InChIInChI=1S/C12H14N4OS/c13-12-16-15-11(18-12)9-3-1-8(2-4-9)10-7-14-5-6-17-10/h1-4,10,14H,5-7H2,(H2,13,16)
InChIKeyBNEGEZSPROEFPV-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.45
Rot. Bonds2

About 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine

5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 70053658) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID70053658
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(C3CNCCO3)cc2)s1
InChIInChI=1S/C12H14N4OS/c13-12-16-15-11(18-12)9-3-1-8(2-4-9)10-7-14-5-6-17-10/h1-4,10,14H,5-7H2,(H2,13,16)
InChIKeyBNEGEZSPROEFPV-UHFFFAOYSA-N
XLogP1.45
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-morpholin-2-ylphenyl)-1,3-thiazol-5-amine
CID 175281556
2-(4-thiophen-2-ylphenyl)morpholine
CID 82085892
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
azane;2-phenylmorpholine
CID 174664757
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
CID 77152123
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
2-(3,4-dimethylphenyl)morpholine
CID 43169342

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine (CID 70053658) is 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(C3CNCCO3)cc2)s1.
What is the InChIKey of 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BNEGEZSPROEFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-12-16-15-11(18-12)9-3-1-8(2-4-9)10-7-14-5-6-17-10/h1-4,10,14H,5-7H2,(H2,13,16).
What are the key properties of 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 262.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 70053658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).