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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Related Compounds

methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate
CID 70526432
methyl (2S)-2-[(2-methoxybenzoyl)-(2-methylnaphthalen-1-yl)amino]propanoate
CID 70527480
methyl (2S)-2-[3-hydroxybutanoyl-(2-methylnaphthalen-1-yl)amino]propanoate
CID 70528581
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(2-methylprop-2-enoyl)amino]propanoate
CID 70526140
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 43815572
methyl (2S)-2-[(2-methoxynaphthalen-1-yl)-prop-2-enoxycarbonylamino]propanoate
CID 70526476
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770
methyl (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 67568315
N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792303
N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222021
methyl 2-[N-(3-chloropropanoyl)-2,6-dimethylanilino]propanoate
CID 21434150

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).