N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine

C13H18N4S — CID 18440299

IUPACN'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine
SMILESNCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H18N4S/c14-7-3-1-4-9-16-13-17-12(10-18-13)11-6-2-5-8-15-11/h2,5-6,8,10H,1,3-4,7,9,14H2,(H,16,17)
InChIKeySGGTWZDGUSRZAG-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.75
Rot. Bonds7

About N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine

N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine (PubChem CID 18440299) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine
PubChem CID18440299
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine
SMILESNCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H18N4S/c14-7-3-1-4-9-16-13-17-12(10-18-13)11-6-2-5-8-15-11/h2,5-6,8,10H,1,3-4,7,9,14H2,(H,16,17)
InChIKeySGGTWZDGUSRZAG-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
CID 54277213
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide
CID 57392816
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine
CID 126840181
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721

Frequently Asked Questions

What is the IUPAC name of N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine?
The IUPAC name of N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine (CID 18440299) is N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine is NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine?
The InChIKey is SGGTWZDGUSRZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c14-7-3-1-4-9-16-13-17-12(10-18-13)11-6-2-5-8-15-11/h2,5-6,8,10H,1,3-4,7,9,14H2,(H,16,17).
What are the key properties of N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine?
N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 18440299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).