N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine

C14H17N3S — CID 115633197

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H17N3S/c1-3-6-11(2)16-9-12-10-18-14(17-12)13-7-4-5-8-15-13/h3-5,7-8,10-11,16H,1,6,9H2,2H3
InChIKeyKQMAWLFQGUFPOL-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.26
Rot. Bonds6

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine (PubChem CID 115633197) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
PubChem CID115633197
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H17N3S/c1-3-6-11(2)16-9-12-10-18-14(17-12)13-7-4-5-8-15-13/h3-5,7-8,10-11,16H,1,6,9H2,2H3
InChIKeyKQMAWLFQGUFPOL-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
CID 43234312
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598448
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784318
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]hex-5-yn-3-amine
CID 115654801
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine (CID 115633197) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine is C=CCC(C)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine?
The InChIKey is KQMAWLFQGUFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-6-11(2)16-9-12-10-18-14(17-12)13-7-4-5-8-15-13/h3-5,7-8,10-11,16H,1,6,9H2,2H3.
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115633197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).