N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine

C10H19N3S — CID 60888751

IUPACN'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
SMILESCc1nc(C(C)NCCCN)c(C)s1
InChIInChI=1S/C10H19N3S/c1-7(12-6-4-5-11)10-8(2)14-9(3)13-10/h7,12H,4-6,11H2,1-3H3
InChIKeyZNPISHHXUXUHMV-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.76
Rot. Bonds5

About N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine

N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine (PubChem CID 60888751) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
PubChem CID60888751
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
SMILESCc1nc(C(C)NCCCN)c(C)s1
InChIInChI=1S/C10H19N3S/c1-7(12-6-4-5-11)10-8(2)14-9(3)13-10/h7,12H,4-6,11H2,1-3H3
InChIKeyZNPISHHXUXUHMV-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine
CID 115893761
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 60980294
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115753105
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 113278109
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 112551263

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine (CID 60888751) is N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine is Cc1nc(C(C)NCCCN)c(C)s1.
What is the InChIKey of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is ZNPISHHXUXUHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-7(12-6-4-5-11)10-8(2)14-9(3)13-10/h7,12H,4-6,11H2,1-3H3.
What are the key properties of N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60888751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).