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

C14H16N4OS2 — CID 75380368

IUPACN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)s1)N1CCSCC1
InChIInChI=1S/C14H16N4OS2/c19-14(18-6-8-20-9-7-18)15-10-12-16-17-13(21-12)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)
InChIKeyZRSPKMDAMFUGER-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.46
Rot. Bonds3

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

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide (PubChem CID 75380368) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide
PubChem CID75380368
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)s1)N1CCSCC1
InChIInChI=1S/C14H16N4OS2/c19-14(18-6-8-20-9-7-18)15-10-12-16-17-13(21-12)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)
InChIKeyZRSPKMDAMFUGER-UHFFFAOYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 154751637
2-(cyclopropylmethylamino)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]acetamide;hydrochloride
CID 119816640
1-(4-chlorophenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874844
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940374
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 167947615
2-[2-[(1,4-thiazepane-4-carbonylamino)methyl]phenyl]acetic acid
CID 81313280
[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]methylcarbamic acid
CID 136641585
3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
CID 71919174
1-(2,4-dimethylphenyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 71851800
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
N-[(3-bromophenyl)methyl]thiomorpholine-4-carboxamide
CID 60601822

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide (CID 75380368) is N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide is O=C(NCc1nnc(-c2ccccc2)s1)N1CCSCC1.
What is the InChIKey of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide?
The InChIKey is ZRSPKMDAMFUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c19-14(18-6-8-20-9-7-18)15-10-12-16-17-13(21-12)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19).
What are the key properties of N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide?
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 75380368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).