5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine

C16H23N5S — CID 129331643

IUPAC5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
SMILESCc1csc(CN2CCC[C@H](Nc3ccc(N)nc3)CC2)n1
InChIInChI=1S/C16H23N5S/c1-12-11-22-16(19-12)10-21-7-2-3-13(6-8-21)20-14-4-5-15(17)18-9-14/h4-5,9,11,13,20H,2-3,6-8,10H2,1H3,(H2,17,18)/t13-/m0/s1
InChIKeyCHHXXZGBZYAHHV-ZDUSSCGKSA-N
MW317.46 g/mol
LogP2.90
Rot. Bonds4

About 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine

5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine (PubChem CID 129331643) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
PubChem CID129331643
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC Name5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
SMILESCc1csc(CN2CCC[C@H](Nc3ccc(N)nc3)CC2)n1
InChIInChI=1S/C16H23N5S/c1-12-11-22-16(19-12)10-21-7-2-3-13(6-8-21)20-14-4-5-15(17)18-9-14/h4-5,9,11,13,20H,2-3,6-8,10H2,1H3,(H2,17,18)/t13-/m0/s1
InChIKeyCHHXXZGBZYAHHV-ZDUSSCGKSA-N
XLogP2.90
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine with MolForge

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Related Compounds

5-N-[1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 129001228
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386
5-N-[(4S)-1-[(3-methyltriazol-4-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
CID 129334899
5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 128995369
5-N-[(4R)-1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]pyridine-2,5-diamine
CID 129343808
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098
[(4R)-4-[(6-amino-3-pyridinyl)amino]azepan-1-yl]-(2-ethyl-1,3-thiazol-5-yl)methanone
CID 129341877
2-[[4-(1-ethylpiperidin-4-yl)-1,4-diazepan-1-yl]methyl]-4-methyl-1,3-thiazole
CID 126422753
5-(cyclobutylamino)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 103220663
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
CID 98894829

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine (CID 129331643) is 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine is Cc1csc(CN2CCC[C@H](Nc3ccc(N)nc3)CC2)n1.
What is the InChIKey of 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
The InChIKey is CHHXXZGBZYAHHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5S/c1-12-11-22-16(19-12)10-21-7-2-3-13(6-8-21)20-14-4-5-15(17)18-9-14/h4-5,9,11,13,20H,2-3,6-8,10H2,1H3,(H2,17,18)/t13-/m0/s1.
What are the key properties of 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine?
5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine has a molecular weight of 317.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4S)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine is sourced from PubChem (CID 129331643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).