(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine

C19H28N4S — CID 129332327

IUPAC(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESCC(C)c1cnc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)s1
InChIInChI=1S/C19H28N4S/c1-15(2)18-12-22-19(24-18)14-23(13-16-6-3-4-10-21-16)17-7-5-9-20-11-8-17/h3-4,6,10,12,15,17,20H,5,7-9,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyDEGDJUMIHNKSFL-QGZVFWFLSA-N
MW344.53 g/mol
LogP3.81
Rot. Bonds6

About (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine

(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine (PubChem CID 129332327) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
PubChem CID129332327
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESCC(C)c1cnc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)s1
InChIInChI=1S/C19H28N4S/c1-15(2)18-12-22-19(24-18)14-23(13-16-6-3-4-10-21-16)17-7-5-9-20-11-8-17/h3-4,6,10,12,15,17,20H,5,7-9,11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyDEGDJUMIHNKSFL-QGZVFWFLSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine with MolForge

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Related Compounds

N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(thiazol-2-ylmethyl)butane-1,4-diamine
CID 46888704
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N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 145963127
2-(4-Methyl-2-thiazolyl)pyridine
CID 21259157
2-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]ethan-1-amine
CID 6917192
2-Tert-butyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 45815848
1,1,1-trifluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylpropan-2-amine
CID 75382636
2-(2-Thiazolyl)pyridine
CID 13331901
2-(2-(Piperidin-2-yl)-1,3-thiazol-4-yl)pyridine
CID 62542130
5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 126782065
2,2,6,6-tetramethyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 25911780
N-[(6-methyl-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 46966582

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
The IUPAC name of (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine (CID 129332327) is (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
The canonical SMILES for (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine is CC(C)c1cnc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)s1.
What is the InChIKey of (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
The InChIKey is DEGDJUMIHNKSFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4S/c1-15(2)18-12-22-19(24-18)14-23(13-16-6-3-4-10-21-16)17-7-5-9-20-11-8-17/h3-4,6,10,12,15,17,20H,5,7-9,11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine?
(4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine has a molecular weight of 344.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 129332327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).