N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide

C18H23N5O3S2 — CID 53368263

About N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide

N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide (PubChem CID 53368263) has the molecular formula C18H23N5O3S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide
• PubChem CID: 53368263
• Molecular Formula: C18H23N5O3S2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.12
• IUPAC Name: N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide
• SMILES: COCc1nnc(NC(=O)C(Cc2ccccc2)NC(=O)N2CCSCC2)s1
• InChI: InChI=1S/C18H23N5O3S2/c1-26-12-15-21-22-17(28-15)20-16(24)14(11-13-5-3-2-4-6-13)19-18(25)23-7-9-27-10-8-23/h2-6,14H,7-12H2,1H3,(H,19,25)(H,20,22,24)
• InChIKey: NCGWLVAHBOLKNH-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?

The IUPAC name of N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide (CID 53368263) is N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide.

What is the SMILES notation for N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?

The canonical SMILES for N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide is COCc1nnc(NC(=O)C(Cc2ccccc2)NC(=O)N2CCSCC2)s1.

What is the InChIKey of N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?

The InChIKey is NCGWLVAHBOLKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S2/c1-26-12-15-21-22-17(28-15)20-16(24)14(11-13-5-3-2-4-6-13)19-18(25)23-7-9-27-10-8-23/h2-6,14H,7-12H2,1H3,(H,19,25)(H,20,22,24).

What are the key properties of N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide?

N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 53368263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).