2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

C11H17N5S — CID 80623364

IUPAC2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCc1nccn1-c1nnc(CNCC(C)C)s1
InChIInChI=1S/C11H17N5S/c1-8(2)6-12-7-10-14-15-11(17-10)16-5-4-13-9(16)3/h4-5,8,12H,6-7H2,1-3H3
InChIKeySCKQTAFMVCURLH-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.78
Rot. Bonds5

About 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (PubChem CID 80623364) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
PubChem CID80623364
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCc1nccn1-c1nnc(CNCC(C)C)s1
InChIInChI=1S/C11H17N5S/c1-8(2)6-12-7-10-14-15-11(17-10)16-5-4-13-9(16)3/h4-5,8,12H,6-7H2,1-3H3
InChIKeySCKQTAFMVCURLH-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (CID 80623364) is 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is Cc1nccn1-c1nnc(CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is SCKQTAFMVCURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-8(2)6-12-7-10-14-15-11(17-10)16-5-4-13-9(16)3/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80623364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).