N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine

C16H32N4S — CID 79381980

IUPACN,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
SMILESCCCNCc1sc(N(C)CCCN(C)C)nc1C(C)C
InChIInChI=1S/C16H32N4S/c1-7-9-17-12-14-15(13(2)3)18-16(21-14)20(6)11-8-10-19(4)5/h13,17H,7-12H2,1-6H3
InChIKeyXGEJSAFLSSSQEE-UHFFFAOYSA-N
MW312.53 g/mol
LogP3.15
Rot. Bonds10

About N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine (PubChem CID 79381980) has the molecular formula C16H32N4S and a molecular weight of 312.53 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
PubChem CID79381980
Molecular FormulaC16H32N4S
Molecular Weight312.53 g/mol
Exact Mass312.23
IUPAC NameN,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
SMILESCCCNCc1sc(N(C)CCCN(C)C)nc1C(C)C
InChIInChI=1S/C16H32N4S/c1-7-9-17-12-14-15(13(2)3)18-16(21-14)20(6)11-8-10-19(4)5/h13,17H,7-12H2,1-6H3
InChIKeyXGEJSAFLSSSQEE-UHFFFAOYSA-N
XLogP3.15
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine 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 N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine (CID 79381980) is N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine is CCCNCc1sc(N(C)CCCN(C)C)nc1C(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine?
The InChIKey is XGEJSAFLSSSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4S/c1-7-9-17-12-14-15(13(2)3)18-16(21-14)20(6)11-8-10-19(4)5/h13,17H,7-12H2,1-6H3.
What are the key properties of N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine has a molecular weight of 312.53 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 79381980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).