methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate

C18H17N3O3S — CID 54556098

IUPACmethyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1csnn1)c1c(C)ccc2ccccc12
InChIInChI=1S/C18H17N3O3S/c1-11-8-9-13-6-4-5-7-14(13)16(11)21(12(2)18(23)24-3)17(22)15-10-25-20-19-15/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyZNGUGXMLIWIMCN-LBPRGKRZSA-N
MW355.42 g/mol
LogP3.21
Rot. Bonds4

About methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate

methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate (PubChem CID 54556098) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate
PubChem CID54556098
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Namemethyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1csnn1)c1c(C)ccc2ccccc12
InChIInChI=1S/C18H17N3O3S/c1-11-8-9-13-6-4-5-7-14(13)16(11)21(12(2)18(23)24-3)17(22)15-10-25-20-19-15/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyZNGUGXMLIWIMCN-LBPRGKRZSA-N
XLogP3.21
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate (CID 54556098) is methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)c1csnn1)c1c(C)ccc2ccccc12.
What is the InChIKey of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate?
The InChIKey is ZNGUGXMLIWIMCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-8-9-13-6-4-5-7-14(13)16(11)21(12(2)18(23)24-3)17(22)15-10-25-20-19-15/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate?
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate has a molecular weight of 355.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(thiadiazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 54556098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).