N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C13H26N4S — CID 79772041

IUPACN'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cnc(NCC)s1
InChIInChI=1S/C13H26N4S/c1-5-7-17(9-8-16(3)4)11-12-10-15-13(18-12)14-6-2/h10H,5-9,11H2,1-4H3,(H,14,15)
InChIKeySRNMMACQESDSBX-UHFFFAOYSA-N
MW270.45 g/mol
LogP2.35
Rot. Bonds9

About N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 79772041) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID79772041
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1cnc(NCC)s1
InChIInChI=1S/C13H26N4S/c1-5-7-17(9-8-16(3)4)11-12-10-15-13(18-12)14-6-2/h10H,5-9,11H2,1-4H3,(H,14,15)
InChIKeySRNMMACQESDSBX-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'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 79772041) is N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1cnc(NCC)s1.
What is the InChIKey of N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is SRNMMACQESDSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-5-7-17(9-8-16(3)4)11-12-10-15-13(18-12)14-6-2/h10H,5-9,11H2,1-4H3,(H,14,15).
What are the key properties of N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-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'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 79772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).