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

C14H27N5S — CID 65270078

IUPAC2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
SMILESCC(CN)CN1CCCN(c2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H27N5S/c1-11(2)13-16-14(20-17-13)19-6-4-5-18(7-8-19)10-12(3)9-15/h11-12H,4-10,15H2,1-3H3
InChIKeyWQVOGQYRKGRYHV-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.77
Rot. Bonds5

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

2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine (PubChem CID 65270078) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
PubChem CID65270078
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
SMILESCC(CN)CN1CCCN(c2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H27N5S/c1-11(2)13-16-14(20-17-13)19-6-4-5-18(7-8-19)10-12(3)9-15/h11-12H,4-10,15H2,1-3H3
InChIKeyWQVOGQYRKGRYHV-UHFFFAOYSA-N
XLogP1.77
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine (CID 65270078) is 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine is CC(CN)CN1CCCN(c2nc(C(C)C)ns2)CC1.
What is the InChIKey of 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
The InChIKey is WQVOGQYRKGRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-11(2)13-16-14(20-17-13)19-6-4-5-18(7-8-19)10-12(3)9-15/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine?
2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine is sourced from PubChem (CID 65270078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).