N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C11H14N4S — CID 103110802

IUPACN-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc(N)c2C)s1
InChIInChI=1S/C11H14N4S/c1-7-9(4-3-5-10(7)12)6-13-11-15-14-8(2)16-11/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyOJYOVIVMAPOQOS-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.35
Rot. Bonds3

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

N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 103110802) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID103110802
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc(N)c2C)s1
InChIInChI=1S/C11H14N4S/c1-7-9(4-3-5-10(7)12)6-13-11-15-14-8(2)16-11/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyOJYOVIVMAPOQOS-UHFFFAOYSA-N
XLogP2.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002594
2-methoxy-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 83310077
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915379
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoate
CID 107648318
N-[(3-amino-2-methylphenyl)methyl]-5-chloropyrimidin-2-amine
CID 103111130
N-[2-(2-aminophenoxy)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208328
2-(2-aminophenyl)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 123661945
N-[(6-bromo-2-pyridinyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648229
N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64916170
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
5-methyl-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106418955
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 103110802) is N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cccc(N)c2C)s1.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OJYOVIVMAPOQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7-9(4-3-5-10(7)12)6-13-11-15-14-8(2)16-11/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103110802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).