N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine

C13H26N4S — CID 55088905

IUPACN',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
SMILESCc1nc(CN(C)CCNCCCN(C)C)cs1
InChIInChI=1S/C13H26N4S/c1-12-15-13(11-18-12)10-17(4)9-7-14-6-5-8-16(2)3/h11,14H,5-10H2,1-4H3
InChIKeyKWLVTHQCJTXJBU-UHFFFAOYSA-N
MW270.45 g/mol
LogP1.42
Rot. Bonds9

About N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine (PubChem CID 55088905) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
PubChem CID55088905
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
SMILESCc1nc(CN(C)CCNCCCN(C)C)cs1
InChIInChI=1S/C13H26N4S/c1-12-15-13(11-18-12)10-17(4)9-7-14-6-5-8-16(2)3/h11,14H,5-10H2,1-4H3
InChIKeyKWLVTHQCJTXJBU-UHFFFAOYSA-N
XLogP1.42
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
N'-butyl-N'-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 115623262
N'-hydroxy-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentanimidamide
CID 76930176
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55088903
N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 103070174
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
2-[2-[2-[3-(dimethylamino)propylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123896
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine (CID 55088905) is N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine is Cc1nc(CN(C)CCNCCCN(C)C)cs1.
What is the InChIKey of N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine?
The InChIKey is KWLVTHQCJTXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-12-15-13(11-18-12)10-17(4)9-7-14-6-5-8-16(2)3/h11,14H,5-10H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine has a molecular weight of 270.45 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 55088905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).