N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine

C12H14N4S — CID 65276126

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESNc1ccccc1CN(c1ncns1)C1CC1
InChIInChI=1S/C12H14N4S/c13-11-4-2-1-3-9(11)7-16(10-5-6-10)12-14-8-15-17-12/h1-4,8,10H,5-7,13H2
InChIKeyDHHDOFILGOFTPV-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.29
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65276126) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65276126
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESNc1ccccc1CN(c1ncns1)C1CC1
InChIInChI=1S/C12H14N4S/c13-11-4-2-1-3-9(11)7-16(10-5-6-10)12-14-8-15-17-12/h1-4,8,10H,5-7,13H2
InChIKeyDHHDOFILGOFTPV-UHFFFAOYSA-N
XLogP2.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65276128
N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine
CID 116648705
6-[(2-aminophenyl)methyl-cyclopropylamino]-2H-1,2,4-triazine-3,5-dione
CID 60876858
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-ethylpyrimidin-4-amine
CID 61239551
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine
CID 62771119
N-[(2-aminophenyl)methyl]-5-bromo-3-chloro-N-cyclopropylpyridin-2-amine
CID 103582921
N-[(2-aminophenyl)methyl]-N-cyclopropylfuro[3,2-c]pyridin-4-amine
CID 106535419
N-(2-bromoethyl)-N-cyclobutyl-1,2,4-thiadiazol-5-amine
CID 102871525
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
3-[cyclopropyl(1,2,4-thiadiazol-5-yl)amino]propanimidamide
CID 65272361
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine
CID 66332674

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65276126) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine is Nc1ccccc1CN(c1ncns1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DHHDOFILGOFTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-11-4-2-1-3-9(11)7-16(10-5-6-10)12-14-8-15-17-12/h1-4,8,10H,5-7,13H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 246.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).