N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine

C13H26N4S — CID 79772531

IUPACN,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
SMILESCCCNc1ncc(CN(C)CCCN(C)C)s1
InChIInChI=1S/C13H26N4S/c1-5-7-14-13-15-10-12(18-13)11-17(4)9-6-8-16(2)3/h10H,5-9,11H2,1-4H3,(H,14,15)
InChIKeyRNXKRNAJDNVDEQ-UHFFFAOYSA-N
MW270.45 g/mol
LogP2.35
Rot. Bonds9

About N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine (PubChem CID 79772531) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
PubChem CID79772531
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
SMILESCCCNc1ncc(CN(C)CCCN(C)C)s1
InChIInChI=1S/C13H26N4S/c1-5-7-14-13-15-10-12(18-13)11-17(4)9-6-8-16(2)3/h10H,5-9,11H2,1-4H3,(H,14,15)
InChIKeyRNXKRNAJDNVDEQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine (CID 79772531) is N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine is CCCNc1ncc(CN(C)CCCN(C)C)s1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
The InChIKey is RNXKRNAJDNVDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-5-7-14-13-15-10-12(18-13)11-17(4)9-6-8-16(2)3/h10H,5-9,11H2,1-4H3,(H,14,15).
What are the key properties of N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine has a molecular weight of 270.45 g/mol, XLogP of 2.35, 9 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'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 79772531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).