N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine

C16H22N4OS — CID 131930843

IUPACN-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCN(CCCN1CCOCC1)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H22N4OS/c1-19(8-5-9-20-10-12-21-13-11-20)16-18-17-15(22-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyBORTZOGFPQNHGI-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine

N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 131930843) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID131930843
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCN(CCCN1CCOCC1)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H22N4OS/c1-19(8-5-9-20-10-12-21-13-11-20)16-18-17-15(22-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyBORTZOGFPQNHGI-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4''-Bipiperidin-1''-yl)-5-o-tolyl-1,3,4-thiadiazole
CID 53320491
2-(1,4''-Bipiperidin-1''-yl)-5-phenyl-1,3,4-thiadiazole
CID 53321787
2-(1,4''-Bipiperidin-1''-yl)-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 53321789
2-(1,4''-Bipiperidin-1''-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 53321790
2-(1,4''-Bipiperidin-1''-yl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 53325775
Piperazine, 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-
CID 1500024
N-(2-Methoxy-ethyl)-N-(5-m-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 652198
2-(3-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317857
2-(4-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
7-(5-Phenyl-1,3,4-thiadiazol-2-YL)-2-oxa-7-azaspiro[4.5]decane
CID 72848654
N-(2-Methoxy-ethyl)-N-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-isobutyramide
CID 3212634
4-(5-Phenyl-1,3,4-thiadiazol-2-yl)-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-6-ol
CID 70707567

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine (CID 131930843) is N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine is CN(CCCN1CCOCC1)c1nnc(-c2ccccc2)s1.
What is the InChIKey of N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BORTZOGFPQNHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-19(8-5-9-20-10-12-21-13-11-20)16-18-17-15(22-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3.
What are the key properties of N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 318.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131930843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).