(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide

C14H16N4O2S2 — CID 120790530

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc(Sc3nncs3)cc2)O1
InChIInChI=1S/C14H16N4O2S2/c15-7-10-3-6-12(20-10)13(19)17-9-1-4-11(5-2-9)22-14-18-16-8-21-14/h1-2,4-5,8,10,12H,3,6-7,15H2,(H,17,19)/t10-,12+/m1/s1
InChIKeyAQLKPTJNLHMUOV-PWSUYJOCSA-N
MW336.44 g/mol
LogP2.13
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide (PubChem CID 120790530) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide
PubChem CID120790530
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2ccc(Sc3nncs3)cc2)O1
InChIInChI=1S/C14H16N4O2S2/c15-7-10-3-6-12(20-10)13(19)17-9-1-4-11(5-2-9)22-14-18-16-8-21-14/h1-2,4-5,8,10,12H,3,6-7,15H2,(H,17,19)/t10-,12+/m1/s1
InChIKeyAQLKPTJNLHMUOV-PWSUYJOCSA-N
XLogP2.13
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 119757430
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[4-(3-amino-3-oxopropoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120788355
(2S,5R)-5-(aminomethyl)-N-[4-(2,2-difluoroethoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120795411
(2S,5R)-5-(aminomethyl)-N-(4-propan-2-ylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782887
(2S,5R)-5-(aminomethyl)-N-[4-(pyridin-4-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120799964
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 60549609
(2S,5R)-5-(aminomethyl)-N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 120782892

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide (CID 120790530) is (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2ccc(Sc3nncs3)cc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide?
The InChIKey is AQLKPTJNLHMUOV-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c15-7-10-3-6-12(20-10)13(19)17-9-1-4-11(5-2-9)22-14-18-16-8-21-14/h1-2,4-5,8,10,12H,3,6-7,15H2,(H,17,19)/t10-,12+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120790530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).