N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine

C13H27N3S — CID 114134847

IUPACN'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1=NCC(C(C)C)S1
InChIInChI=1S/C13H27N3S/c1-5-8-16(6-2)9-7-14-13-15-10-12(17-13)11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyYBYWVUIJAYAKRS-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.44
Rot. Bonds7

About N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine

N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine (PubChem CID 114134847) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine
PubChem CID114134847
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC1=NCC(C(C)C)S1
InChIInChI=1S/C13H27N3S/c1-5-8-16(6-2)9-7-14-13-15-10-12(17-13)11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyYBYWVUIJAYAKRS-UHFFFAOYSA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine (CID 114134847) is N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine is CCCN(CC)CCNC1=NCC(C(C)C)S1.
What is the InChIKey of N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine?
The InChIKey is YBYWVUIJAYAKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-5-8-16(6-2)9-7-14-13-15-10-12(17-13)11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine?
N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine has a molecular weight of 257.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 114134847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).