N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine

C13H15Cl2N3S — CID 65209016

IUPACN-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1snnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-8(2)6-16-7-12-13(17-18-19-12)10-4-3-9(14)5-11(10)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyNODQYIRCLVPIDP-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.26
Rot. Bonds5

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

N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65209016) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65209016
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC NameN-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1snnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3S/c1-8(2)6-16-7-12-13(17-18-19-12)10-4-3-9(14)5-11(10)15/h3-5,8,16H,6-7H2,1-2H3
InChIKeyNODQYIRCLVPIDP-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 65199469
N-[[4-(2,4-dichloro-5-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65209242
5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812335
N-[[2-(2-chloro-4-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842167
N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 113459877
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
N-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107447395
5-[(S)-(4-chlorophenyl)methylsulfinyl]-4-(2,4-dichlorophenyl)thiadiazole
CID 40554327
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209284
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
N-(5-chloro-2-fluorophenyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968954

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65209016) is N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1snnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NODQYIRCLVPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-8(2)6-16-7-12-13(17-18-19-12)10-4-3-9(14)5-11(10)15/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dichlorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65209016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).