N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

C12H19N5S — CID 114204585

IUPACN-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nnc(-n2cnc(CNCC(C)C)c2)s1
InChIInChI=1S/C12H19N5S/c1-4-11-15-16-12(18-11)17-7-10(14-8-17)6-13-5-9(2)3/h7-9,13H,4-6H2,1-3H3
InChIKeyTUSIATGNMAVZBC-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.03
Rot. Bonds6

About N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114204585) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID114204585
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nnc(-n2cnc(CNCC(C)C)c2)s1
InChIInChI=1S/C12H19N5S/c1-4-11-15-16-12(18-11)17-7-10(14-8-17)6-13-5-9(2)3/h7-9,13H,4-6H2,1-3H3
InChIKeyTUSIATGNMAVZBC-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[5-(1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623354
2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623364
2-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720101
N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114204098
2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204100
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
CID 114204186
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80623383
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 114204585) is N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is CCc1nnc(-n2cnc(CNCC(C)C)c2)s1.
What is the InChIKey of N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is TUSIATGNMAVZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-4-11-15-16-12(18-11)17-7-10(14-8-17)6-13-5-9(2)3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114204585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).