N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine

C14H24N6S2 — CID 10735945

IUPACN'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
SMILESNCCNCCc1nc(-c2csc(CCNCCN)n2)cs1
InChIInChI=1S/C14H24N6S2/c15-3-7-17-5-1-13-19-11(9-21-13)12-10-22-14(20-12)2-6-18-8-4-16/h9-10,17-18H,1-8,15-16H2
InChIKeyREEASUQMAQKSPS-UHFFFAOYSA-N
MW340.52 g/mol
LogP0.45
Rot. Bonds11

About N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine

N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine (PubChem CID 10735945) has the molecular formula C14H24N6S2 and a molecular weight of 340.52 g/mol. Its IUPAC name is N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
PubChem CID10735945
Molecular FormulaC14H24N6S2
Molecular Weight340.52 g/mol
Exact Mass340.15
IUPAC NameN'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
SMILESNCCNCCc1nc(-c2csc(CCNCCN)n2)cs1
InChIInChI=1S/C14H24N6S2/c15-3-7-17-5-1-13-19-11(9-21-13)12-10-22-14(20-12)2-6-18-8-4-16/h9-10,17-18H,1-8,15-16H2
InChIKeyREEASUQMAQKSPS-UHFFFAOYSA-N
XLogP0.45
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 82102962
N',N'-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propane-1,3-diamine
CID 82103460
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102961
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine (CID 10735945) is N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine is NCCNCCc1nc(-c2csc(CCNCCN)n2)cs1.
What is the InChIKey of N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
The InChIKey is REEASUQMAQKSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6S2/c15-3-7-17-5-1-13-19-11(9-21-13)12-10-22-14(20-12)2-6-18-8-4-16/h9-10,17-18H,1-8,15-16H2.
What are the key properties of N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine?
N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine has a molecular weight of 340.52 g/mol, XLogP of 0.45, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[2-[2-(2-aminoethylamino)ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 10735945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).