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

C12H13Cl2N3S — CID 107648399

IUPACN-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(Nc1nnc(C)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3S/c1-3-11(15-12-17-16-7(2)18-12)8-4-5-9(13)10(14)6-8/h4-6,11H,3H2,1-2H3,(H,15,17)
InChIKeyQNEDNYIUYBWSQE-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.72
Rot. Bonds4

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

N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648399) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648399
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCC(Nc1nnc(C)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3S/c1-3-11(15-12-17-16-7(2)18-12)8-4-5-9(13)10(14)6-8/h4-6,11H,3H2,1-2H3,(H,15,17)
InChIKeyQNEDNYIUYBWSQE-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
CID 79046612
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
4-[1-(3,4-dichlorophenyl)propylamino]benzonitrile
CID 43763746
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
CID 43765643
N-[1-(3,4-dichlorophenyl)propyl]-4-iodo-2-methylaniline
CID 63440708
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648399) is N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine is CCC(Nc1nnc(C)s1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QNEDNYIUYBWSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-3-11(15-12-17-16-7(2)18-12)8-4-5-9(13)10(14)6-8/h4-6,11H,3H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 302.23 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).