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

C15H18N4O3S — CID 3389875

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-21-12-4-2-11(3-5-12)10-13-17-18-14(23-13)16-15(20)19-6-8-22-9-7-19/h2-5H,6-10H2,1H3,(H,16,18,20)
InChIKeyPRRAYTUIQFTYIU-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.00
Rot. Bonds4

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

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (PubChem CID 3389875) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
PubChem CID3389875
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
SMILESCOc1ccc(Cc2nnc(NC(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C15H18N4O3S/c1-21-12-4-2-11(3-5-12)10-13-17-18-14(23-13)16-15(20)19-6-8-22-9-7-19/h2-5H,6-10H2,1H3,(H,16,18,20)
InChIKeyPRRAYTUIQFTYIU-UHFFFAOYSA-N
XLogP2.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3151641
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
3,5-dimethoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1077808
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
1-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122079781
3-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921245
2,6-dichloro-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1303432
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
1-(2-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17152768
2-(4-chlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 3394597

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide (CID 3389875) is N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is COc1ccc(Cc2nnc(NC(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is PRRAYTUIQFTYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-21-12-4-2-11(3-5-12)10-13-17-18-14(23-13)16-15(20)19-6-8-22-9-7-19/h2-5H,6-10H2,1H3,(H,16,18,20).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 3389875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).