N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide

C15H18N4OS2 — CID 119940374

IUPACN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS2/c20-13(8-12-10-21-7-6-16-12)17-9-14-18-19-15(22-14)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,20)
InChIKeySDRVSIHCBLAYER-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.92
Rot. Bonds5

About N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940374) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940374
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4OS2/c20-13(8-12-10-21-7-6-16-12)17-9-14-18-19-15(22-14)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,20)
InChIKeySDRVSIHCBLAYER-UHFFFAOYSA-N
XLogP1.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941144
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937796

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119940374) is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is SDRVSIHCBLAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c20-13(8-12-10-21-7-6-16-12)17-9-14-18-19-15(22-14)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,20).
What are the key properties of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 334.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).