N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine

C13H18N4S — CID 65208881

IUPACN-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1ccccc1N)c1nnc(C)s1
InChIInChI=1S/C13H18N4S/c1-3-8-17(13-16-15-10(2)18-13)9-11-6-4-5-7-12(11)14/h4-7H,3,8-9,14H2,1-2H3
InChIKeyBMEVTCQSHUTMRQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.85
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine

N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208881) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID65208881
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(Cc1ccccc1N)c1nnc(C)s1
InChIInChI=1S/C13H18N4S/c1-3-8-17(13-16-15-10(2)18-13)9-11-6-4-5-7-12(11)14/h4-7H,3,8-9,14H2,1-2H3
InChIKeyBMEVTCQSHUTMRQ-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.85
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-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
N-[(2-aminophenyl)methyl]-N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450013
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
CID 83062625
2,2-dimethyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propylpropane-1,3-diamine
CID 79661792
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
CID 106876283
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
5-[2-(2-aminophenyl)ethyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82480391
N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787292

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine (CID 65208881) is N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine is CCCN(Cc1ccccc1N)c1nnc(C)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BMEVTCQSHUTMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-8-17(13-16-15-10(2)18-13)9-11-6-4-5-7-12(11)14/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine?
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).