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

C17H25N3S — CID 43234312

IUPAC6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H25N3S/c1-13(2)7-6-8-14(3)19-11-15-12-21-17(20-15)16-9-4-5-10-18-16/h4-5,9-10,12-14,19H,6-8,11H2,1-3H3
InChIKeyZSUUYGRIVYJKRS-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.51
Rot. Bonds8

About 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine

6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine (PubChem CID 43234312) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
PubChem CID43234312
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H25N3S/c1-13(2)7-6-8-14(3)19-11-15-12-21-17(20-15)16-9-4-5-10-18-16/h4-5,9-10,12-14,19H,6-8,11H2,1-3H3
InChIKeyZSUUYGRIVYJKRS-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197
(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
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
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
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
3-propan-2-yloxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 43234375
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]ethane-1,2-diamine
CID 55025320
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine?
The IUPAC name of 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine (CID 43234312) is 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine.
What is the SMILES notation for 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine?
The canonical SMILES for 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine is CC(C)CCCC(C)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine?
The InChIKey is ZSUUYGRIVYJKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-13(2)7-6-8-14(3)19-11-15-12-21-17(20-15)16-9-4-5-10-18-16/h4-5,9-10,12-14,19H,6-8,11H2,1-3H3.
What are the key properties of 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine?
6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine has a molecular weight of 303.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine is sourced from PubChem (CID 43234312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).