N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine

C10H10N4O2S — CID 65277207

IUPACN-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESO=[N+]([O-])c1ccc(CCNc2ncns2)cc1
InChIInChI=1S/C10H10N4O2S/c15-14(16)9-3-1-8(2-4-9)5-6-11-10-12-7-13-17-10/h1-4,7H,5-6H2,(H,11,12,13)
InChIKeySGCKCMYNXVEGNK-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine

N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65277207) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65277207
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESO=[N+]([O-])c1ccc(CCNc2ncns2)cc1
InChIInChI=1S/C10H10N4O2S/c15-14(16)9-3-1-8(2-4-9)5-6-11-10-12-7-13-17-10/h1-4,7H,5-6H2,(H,11,12,13)
InChIKeySGCKCMYNXVEGNK-UHFFFAOYSA-N
XLogP2.10
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
2-(4-nitrophenyl)ethylhydrazine;hydrochloride
CID 69415897
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
5-iodo-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 66340336
N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273852
5-bromo-6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 106194224
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyridin-2-amine
CID 106194233
4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 62958039
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
6-chloro-5-methoxy-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 106194240
N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115611145

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65277207) is N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine is O=[N+]([O-])c1ccc(CCNc2ncns2)cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SGCKCMYNXVEGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-14(16)9-3-1-8(2-4-9)5-6-11-10-12-7-13-17-10/h1-4,7H,5-6H2,(H,11,12,13).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 250.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).