[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone

C17H23N5OS — CID 129341877

IUPAC[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-2-16-20-11-14(24-16)17(23)22-8-3-4-12(7-9-22)21-13-5-6-15(18)19-10-13/h5-6,10-12,21H,2-4,7-9H2,1H3,(H2,18,19)/t12-/m1/s1
InChIKeyRZBBVQQXPXHFPI-GFCCVEGCSA-N
MW345.47 g/mol
LogP2.79
Rot. Bonds4

About [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone

[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone (PubChem CID 129341877) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
PubChem CID129341877
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-2-16-20-11-14(24-16)17(23)22-8-3-4-12(7-9-22)21-13-5-6-15(18)19-10-13/h5-6,10-12,21H,2-4,7-9H2,1H3,(H2,18,19)/t12-/m1/s1
InChIKeyRZBBVQQXPXHFPI-GFCCVEGCSA-N
XLogP2.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

[4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone;hydrochloride
CID 128971315
[4-(2-ethyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 86847767
1-[2-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129339675
1-[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-pyridin-3-ylethanone
CID 129343074
1-[(4S)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 129339841
(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110907783
(2-ethyl-1,3-thiazol-5-yl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 48579290
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
5-N-[1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 129001228
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
CID 129331643

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone (CID 129341877) is [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone is CCc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(N)nc3)CC2)s1.
What is the InChIKey of [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is RZBBVQQXPXHFPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-16-20-11-14(24-16)17(23)22-8-3-4-12(7-9-22)21-13-5-6-15(18)19-10-13/h5-6,10-12,21H,2-4,7-9H2,1H3,(H2,18,19)/t12-/m1/s1.
What are the key properties of [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone?
[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 129341877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).